1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide

C36H49N5O4 — CID 68606048

IUPAC1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
SMILESCCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H]2CCCc3ccc(OC)cc32)nn1CC
InChIInChI=1S/C36H49N5O4/c1-4-12-27-16-9-10-20-40(27)36(44)33-23-32(39-41(33)5-2)35(43)38-31(21-25-13-7-6-8-14-25)34(42)24-37-30-17-11-15-26-18-19-28(45-3)22-29(26)30/h6-8,13-14,18-19,22-23,27,30-31,34,37,42H,4-5,9-12,15-17,20-21,24H2,1-3H3,(H,38,43)/t27?,30-,31-,34-/m0/s1
InChIKeyNKCGHSWKZBVHRL-PMSDZOONSA-N
MW615.82 g/mol
LogP5.08
Rot. Bonds13

About 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide

1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide (PubChem CID 68606048) has the molecular formula C36H49N5O4 and a molecular weight of 615.82 g/mol. Its IUPAC name is 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
PubChem CID68606048
Molecular FormulaC36H49N5O4
Molecular Weight615.82 g/mol
Exact Mass615.38
IUPAC Name1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
SMILESCCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H]2CCCc3ccc(OC)cc32)nn1CC
InChIInChI=1S/C36H49N5O4/c1-4-12-27-16-9-10-20-40(27)36(44)33-23-32(39-41(33)5-2)35(43)38-31(21-25-13-7-6-8-14-25)34(42)24-37-30-17-11-15-26-18-19-28(45-3)22-29(26)30/h6-8,13-14,18-19,22-23,27,30-31,34,37,42H,4-5,9-12,15-17,20-21,24H2,1-3H3,(H,38,43)/t27?,30-,31-,34-/m0/s1
InChIKeyNKCGHSWKZBVHRL-PMSDZOONSA-N
XLogP5.08
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[(2S,3R)-3-hydroxy-4-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68608284
1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1R)-1-(3-methoxyphenyl)propyl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68605297
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-ethyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68605429
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]-1-ethyl-5-N-hexyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 25191569
1-ethyl-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide
CID 68604218
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-1-ethyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68605664
N-[(3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 10341947
tert-butyl-[(2S,3R)-3-hydroxy-4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69360565
N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzamide
CID 74435352
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
phenyl N-[(3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]carbamate
CID 10074470
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide
CID 69298752

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide (CID 68606048) is 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide is CCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H]2CCCc3ccc(OC)cc32)nn1CC.
What is the InChIKey of 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
The InChIKey is NKCGHSWKZBVHRL-PMSDZOONSA-N. The full InChI is InChI=1S/C36H49N5O4/c1-4-12-27-16-9-10-20-40(27)36(44)33-23-32(39-41(33)5-2)35(43)38-31(21-25-13-7-6-8-14-25)34(42)24-37-30-17-11-15-26-18-19-28(45-3)22-29(26)30/h6-8,13-14,18-19,22-23,27,30-31,34,37,42H,4-5,9-12,15-17,20-21,24H2,1-3H3,(H,38,43)/t27?,30-,31-,34-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide?
1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide has a molecular weight of 615.82 g/mol, XLogP of 5.08, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S,3S)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide is sourced from PubChem (CID 68606048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).