N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

C14H24N4O — CID 104974422

IUPACN-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-4-18-13(10-11(2)16-18)14(19)17(3)12-6-5-8-15-9-7-12/h10,12,15H,4-9H2,1-3H3
InChIKeyTVIPCCGJGAZDBV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds3

About N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 104974422) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
PubChem CID104974422
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-4-18-13(10-11(2)16-18)14(19)17(3)12-6-5-8-15-9-7-12/h10,12,15H,4-9H2,1-3H3
InChIKeyTVIPCCGJGAZDBV-UHFFFAOYSA-N
XLogP1.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-piperidin-3-yl-N-propylpyrazole-3-carboxamide
CID 66128479
N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 104974452
2-ethyl-N-(2-hydroxycyclohexyl)-N,5-dimethylpyrazole-3-carboxamide
CID 102634205
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
N-(2-aminoethyl)-N-cyclohexyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122641
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
2-ethyl-N-(2-hydroxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106612708
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
2-ethyl-5-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-3-carboxamide
CID 66122627
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66121022

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (CID 104974422) is N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is TVIPCCGJGAZDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18-13(10-11(2)16-18)14(19)17(3)12-6-5-8-15-9-7-12/h10,12,15H,4-9H2,1-3H3.
What are the key properties of N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 104974422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).