2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide

C19H25N3O3 — CID 91769972

IUPAC2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H25N3O3/c1-3-22-17(11-14(2)21-22)19(23)20-16-9-10-24-13-18(16)25-12-15-7-5-4-6-8-15/h4-8,11,16,18H,3,9-10,12-13H2,1-2H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyHGHUKJIWTIFQFS-SJLPKXTDSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds6

About 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide (PubChem CID 91769972) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
PubChem CID91769972
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C19H25N3O3/c1-3-22-17(11-14(2)21-22)19(23)20-16-9-10-24-13-18(16)25-12-15-7-5-4-6-8-15/h4-8,11,16,18H,3,9-10,12-13H2,1-2H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyHGHUKJIWTIFQFS-SJLPKXTDSA-N
XLogP2.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]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

3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
4-ethyl-2-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91777414
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide (CID 91769972) is 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide?
The InChIKey is HGHUKJIWTIFQFS-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-22-17(11-14(2)21-22)19(23)20-16-9-10-24-13-18(16)25-12-15-7-5-4-6-8-15/h4-8,11,16,18H,3,9-10,12-13H2,1-2H3,(H,20,23)/t16-,18-/m1/s1.
What are the key properties of 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91769972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).