4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide

C18H27N5O2 — CID 119034514

IUPAC4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-13(14-3-4-14)23-16(7-8-19-23)20-18(25)22-10-2-9-21(11-12-22)17(24)15-5-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,25)
InChIKeyQNQQUCBREHMTPO-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.33
Rot. Bonds4

About 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide (PubChem CID 119034514) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
PubChem CID119034514
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
SMILESCC(C1CC1)n1nccc1NC(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-13(14-3-4-14)23-16(7-8-19-23)20-18(25)22-10-2-9-21(11-12-22)17(24)15-5-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,25)
InChIKeyQNQQUCBREHMTPO-UHFFFAOYSA-N
XLogP2.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 128702374
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090384
(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141251
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 78898163
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide (CID 119034514) is 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide is CC(C1CC1)n1nccc1NC(=O)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide?
The InChIKey is QNQQUCBREHMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(14-3-4-14)23-16(7-8-19-23)20-18(25)22-10-2-9-21(11-12-22)17(24)15-5-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,25).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 119034514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).