[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone

C15H24N4O — CID 95750159

IUPAC[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-2-19-9-6-14(16-19)15(20)18-8-3-7-17(10-11-18)12-13-4-5-13/h6,9,13H,2-5,7-8,10-12H2,1H3
InChIKeyVHLGRHHYPRYIAY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds4

About [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone

[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 95750159) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID95750159
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCN(CC3CC3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-2-19-9-6-14(16-19)15(20)18-8-3-7-17(10-11-18)12-13-4-5-13/h6,9,13H,2-5,7-8,10-12H2,1H3
InChIKeyVHLGRHHYPRYIAY-UHFFFAOYSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749809
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]methanone
CID 95750176
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 95750159) is [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCCN(CC3CC3)CC2)n1.
What is the InChIKey of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is VHLGRHHYPRYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-19-9-6-14(16-19)15(20)18-8-3-7-17(10-11-18)12-13-4-5-13/h6,9,13H,2-5,7-8,10-12H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 95750159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).