(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide

C17H28N4O2 — CID 164635885

IUPAC(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
SMILESO=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@H](CO)CC1
InChIInChI=1S/C17H28N4O2/c22-13-14-5-4-10-20(11-8-14)17(23)18-16-9-12-21(19-16)15-6-2-1-3-7-15/h9,12,14-15,22H,1-8,10-11,13H2,(H,18,19,23)/t14-/m0/s1
InChIKeyVSXRUZHMXHLNHZ-AWEZNQCLSA-N
MW320.44 g/mol
LogP3.01
Rot. Bonds3

About (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide

(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide (PubChem CID 164635885) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
PubChem CID164635885
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
SMILESO=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@H](CO)CC1
InChIInChI=1S/C17H28N4O2/c22-13-14-5-4-10-20(11-8-14)17(23)18-16-9-12-21(19-16)15-6-2-1-3-7-15/h9,12,14-15,22H,1-8,10-11,13H2,(H,18,19,23)/t14-/m0/s1
InChIKeyVSXRUZHMXHLNHZ-AWEZNQCLSA-N
XLogP3.01
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
CID 164630590
N-(3-bromo-4-pyridinyl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 146092165
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258
N-(1-cyclopropylpyrazol-3-yl)propanamide
CID 170387094
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
4-[cyclobutyl(methylsulfonyl)amino]-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 128996295
3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129330407
N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834193
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide?
The IUPAC name of (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide (CID 164635885) is (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide.
What is the SMILES notation for (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide?
The canonical SMILES for (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide is O=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@H](CO)CC1.
What is the InChIKey of (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide?
The InChIKey is VSXRUZHMXHLNHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-13-14-5-4-10-20(11-8-14)17(23)18-16-9-12-21(19-16)15-6-2-1-3-7-15/h9,12,14-15,22H,1-8,10-11,13H2,(H,18,19,23)/t14-/m0/s1.
What are the key properties of (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide?
(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide is sourced from PubChem (CID 164635885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).