(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide

C15H26N4O — CID 95635629

IUPAC(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
SMILESCC(C)C[C@H]1CCCCCN1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C15H26N4O/c1-12(2)11-13-7-5-4-6-9-19(13)15(20)16-14-8-10-18(3)17-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,16,17,20)/t13-/m1/s1
InChIKeyUZPQJPDJBHNNAS-CYBMUJFWSA-N
MW278.40 g/mol
LogP3.24
Rot. Bonds3

About (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide

(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide (PubChem CID 95635629) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
PubChem CID95635629
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
SMILESCC(C)C[C@H]1CCCCCN1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C15H26N4O/c1-12(2)11-13-7-5-4-6-9-19(13)15(20)16-14-8-10-18(3)17-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,16,17,20)/t13-/m1/s1
InChIKeyUZPQJPDJBHNNAS-CYBMUJFWSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 97080755
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CID 51228914
(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
CID 97003639
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 125140445
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 122139751
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 71992455
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide?
The IUPAC name of (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide (CID 95635629) is (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide?
The canonical SMILES for (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide is CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide?
The InChIKey is UZPQJPDJBHNNAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)11-13-7-5-4-6-9-19(13)15(20)16-14-8-10-18(3)17-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide?
(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide is sourced from PubChem (CID 95635629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).