1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide

C16H26N4O2 — CID 95127727

IUPAC1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C16H26N4O2/c1-4-20-14(10-12(19-20)9-11(2)3)16(22)18-13-7-5-6-8-17-15(13)21/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1
InChIKeyXSOMBDIXIROQQM-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds5

About 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide (PubChem CID 95127727) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
PubChem CID95127727
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C16H26N4O2/c1-4-20-14(10-12(19-20)9-11(2)3)16(22)18-13-7-5-6-8-17-15(13)21/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1
InChIKeyXSOMBDIXIROQQM-ZDUSSCGKSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
CID 97136741
N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 135102229
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 65358956
4-[[(1S)-1-cyclohexylethyl]amino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238639
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide (CID 95127727) is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The InChIKey is XSOMBDIXIROQQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-20-14(10-12(19-20)9-11(2)3)16(22)18-13-7-5-6-8-17-15(13)21/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1.
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 95127727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).