N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

C14H24N4O — CID 104974452

IUPACN-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)C2CCCNCC2)n1
InChIInChI=1S/C14H24N4O/c1-11-9-12(2)18(16-11)10-14(19)17(3)13-5-4-7-15-8-6-13/h9,13,15H,4-8,10H2,1-3H3
InChIKeySPHMPENFGMTRCO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.10
Rot. Bonds3

About N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 104974452) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
PubChem CID104974452
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)C2CCCNCC2)n1
InChIInChI=1S/C14H24N4O/c1-11-9-12(2)18(16-11)10-14(19)17(3)13-5-4-7-15-8-6-13/h9,13,15H,4-8,10H2,1-3H3
InChIKeySPHMPENFGMTRCO-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 63299515
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methylacetamide
CID 110127700
2-(3,5-dimethylpyrazol-1-yl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62045029
N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
CID 154863649
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (CID 104974452) is N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is Cc1cc(C)n(CC(=O)N(C)C2CCCNCC2)n1.
What is the InChIKey of N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is SPHMPENFGMTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-9-12(2)18(16-11)10-14(19)17(3)13-5-4-7-15-8-6-13/h9,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.10, 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-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 104974452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).