1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide

C17H26N4O2 — CID 94517659

IUPAC1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N[C@H]2CCCCNC2=O)cc1C1CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)21-14(11-7-8-11)10-13(20-21)16(23)19-12-6-4-5-9-18-15(12)22/h10-12H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyFDWXXBVFVJVETI-LBPRGKRZSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds3

About 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide (PubChem CID 94517659) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
PubChem CID94517659
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N[C@H]2CCCCNC2=O)cc1C1CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)21-14(11-7-8-11)10-13(20-21)16(23)19-12-6-4-5-9-18-15(12)22/h10-12H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyFDWXXBVFVJVETI-LBPRGKRZSA-N
XLogP1.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
5-tert-butyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 170175526
2-tert-butyl-7-(3-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170341
1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 120889149
1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55842362

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide (CID 94517659) is 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)N[C@H]2CCCCNC2=O)cc1C1CC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide?
The InChIKey is FDWXXBVFVJVETI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)21-14(11-7-8-11)10-13(20-21)16(23)19-12-6-4-5-9-18-15(12)22/h10-12H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1.
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 94517659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).