N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide

C13H22N4O — CID 115671097

IUPACN-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-11(2)17-10-12(9-14-17)15-13(18)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyKVKHUAVLPQTGQZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.87
Rot. Bonds2

About N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide

N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide (PubChem CID 115671097) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
PubChem CID115671097
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-11(2)17-10-12(9-14-17)15-13(18)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyKVKHUAVLPQTGQZ-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
4-(2,2-difluoroethyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,4-diazepane-1-carboxamide
CID 84592535
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
2-[4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 62901981
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
2-ethyl-6-methyl-N-(1-propan-2-ylpyrazol-4-yl)morpholine-4-carboxamide
CID 71864895
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide (CID 115671097) is N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide is CC(C)n1cc(NC(=O)N2CCCCCC2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The InChIKey is KVKHUAVLPQTGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(2)17-10-12(9-14-17)15-13(18)16-7-5-3-4-6-8-16/h9-11H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide is sourced from PubChem (CID 115671097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).