4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide

C14H23N5O2 — CID 71893140

IUPAC4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)NC(C)Cn2cccn2)CC1
InChIInChI=1S/C14H23N5O2/c1-12(11-19-8-3-5-15-19)16-14(21)18-7-4-6-17(9-10-18)13(2)20/h3,5,8,12H,4,6-7,9-11H2,1-2H3,(H,16,21)
InChIKeyGOUSYEQAMHHHFE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.54
Rot. Bonds3

About 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide

4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 71893140) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID71893140
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)NC(C)Cn2cccn2)CC1
InChIInChI=1S/C14H23N5O2/c1-12(11-19-8-3-5-15-19)16-14(21)18-7-4-6-17(9-10-18)13(2)20/h3,5,8,12H,4,6-7,9-11H2,1-2H3,(H,16,21)
InChIKeyGOUSYEQAMHHHFE-UHFFFAOYSA-N
XLogP0.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45831715
1-[2-(2-Oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51083066
4-(2-methoxyethyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53504787
1-[2-(Dimethylamino)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53504812
1-[3-(2-Oxoazepan-1-yl)propyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53506186
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
4-(2-(1H-pyrazol-1-yl)ethyl)-N-(tert-butyl)-1,4-diazepane-1-carboxamide hydrochloride
CID 71790540
N-methyl-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 177680285
N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
CID 47200160
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 47227722
4-methyl-N-(3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 53505470

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide (CID 71893140) is 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide is CC(=O)N1CCCN(C(=O)NC(C)Cn2cccn2)CC1.
What is the InChIKey of 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is GOUSYEQAMHHHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-12(11-19-8-3-5-15-19)16-14(21)18-7-4-6-17(9-10-18)13(2)20/h3,5,8,12H,4,6-7,9-11H2,1-2H3,(H,16,21).
What are the key properties of 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide?
4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).