(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide

C14H24N4O — CID 164639224

IUPAC(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCn1ncc(C)c1NC(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C14H24N4O/c1-4-18-13(11(2)10-15-18)16-14(19)12-8-6-5-7-9-17(12)3/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyWUHRCGASRJLJDV-LBPRGKRZSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds3

About (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide

(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide (PubChem CID 164639224) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
PubChem CID164639224
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCn1ncc(C)c1NC(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C14H24N4O/c1-4-18-13(11(2)10-15-18)16-14(19)12-8-6-5-7-9-17(12)3/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyWUHRCGASRJLJDV-LBPRGKRZSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 52380716
5-Amino-1-[2-(azepan-1-yl)propanoyl]pyrazole-4-carbonitrile
CID 71991379
N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 132406295
N-(4-methyl-1-propyl-1H-pyrazol-5-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 132409067
2-(acetylamino)-N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)acetamide
CID 132410423
N-[1-(1,4-dimethylpyrazol-5-yl)-5,5-difluoroazepan-4-yl]-2,2,2-trifluoroacetamide
CID 144260413
N-(1,4-dimethylpyrazol-5-yl)-1-ethylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154888716
N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171686872
N-[1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-yl]-2-(5-oxopyrrolidin-2-yl)acetamide
CID 46985061
2-(acetylamino)-N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-3-methylbutanamide
CID 46996783
2-[(2-cyclohexylacetyl)amino]-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]propanamide
CID 53623963
6-amino-1,8-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one
CID 124178283

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide?
The IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide (CID 164639224) is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide is CCn1ncc(C)c1NC(=O)[C@@H]1CCCCCN1C.
What is the InChIKey of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide?
The InChIKey is WUHRCGASRJLJDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18-13(11(2)10-15-18)16-14(19)12-8-6-5-7-9-17(12)3/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide?
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide is sourced from PubChem (CID 164639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).