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

C35H49N5O4 — CID 68605297

IUPAC1-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
SMILESCCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H](CC)c2cccc(OC)c2)nn1CC
InChIInChI=1S/C35H49N5O4/c1-5-14-27-18-11-12-20-39(27)35(43)32-23-31(38-40(32)7-3)34(42)37-30(21-25-15-9-8-10-16-25)33(41)24-36-29(6-2)26-17-13-19-28(22-26)44-4/h8-10,13,15-17,19,22-23,27,29-30,33,36,41H,5-7,11-12,14,18,20-21,24H2,1-4H3,(H,37,42)/t27?,29-,30+,33+/m1/s1
InChIKeyKFCUWXCZKGNRFJ-IBEHVZJNSA-N
MW603.81 g/mol
LogP5.15
Rot. Bonds15

About 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

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 (PubChem CID 68605297) has the molecular formula C35H49N5O4 and a molecular weight of 603.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID68605297
Molecular FormulaC35H49N5O4
Molecular Weight603.81 g/mol
Exact Mass603.38
IUPAC Name1-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
SMILESCCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H](CC)c2cccc(OC)c2)nn1CC
InChIInChI=1S/C35H49N5O4/c1-5-14-27-18-11-12-20-39(27)35(43)32-23-31(38-40(32)7-3)34(42)37-30(21-25-15-9-8-10-16-25)33(41)24-36-29(6-2)26-17-13-19-28(22-26)44-4/h8-10,13,15-17,19,22-23,27,29-30,33,36,41H,5-7,11-12,14,18,20-21,24H2,1-4H3,(H,37,42)/t27?,29-,30+,33+/m1/s1
InChIKeyKFCUWXCZKGNRFJ-IBEHVZJNSA-N
XLogP5.15
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-1-ethyl-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide
CID 68605429
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-[[(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
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-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzamide
CID 74435352
N-[(2S,3S)-3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-phenylbutan-2-yl]-3-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
CID 68671464
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
CID 25254659
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
CID 25254816
N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-methoxy-5-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
CID 74435180
5-N-cyclopropyl-1-ethyl-3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-N-(3-hydroxypropyl)pyrazole-3,5-dicarboxamide
CID 68606129
N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-4-fluoro-3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]benzamide
CID 129031204

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@H](CC)c2cccc(OC)c2)nn1CC.
What is the InChIKey of 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?
The InChIKey is KFCUWXCZKGNRFJ-IBEHVZJNSA-N. The full InChI is InChI=1S/C35H49N5O4/c1-5-14-27-18-11-12-20-39(27)35(43)32-23-31(38-40(32)7-3)34(42)37-30(21-25-15-9-8-10-16-25)33(41)24-36-29(6-2)26-17-13-19-28(22-26)44-4/h8-10,13,15-17,19,22-23,27,29-30,33,36,41H,5-7,11-12,14,18,20-21,24H2,1-4H3,(H,37,42)/t27?,29-,30+,33+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 603.81 g/mol, XLogP of 5.15, 15 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-[[(1R)-1-(3-methoxyphenyl)propyl]amino]-1-phenylbutan-2-yl]-5-(2-propylpiperidine-1-carbonyl)pyrazole-3-carboxamide is sourced from PubChem (CID 68605297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).