[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C19H22N4O2 — CID 46564681

IUPAC[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(16-6-7-16)21-8-10-22(11-9-21)19(25)17-12-20-23(14-17)13-15-4-2-1-3-5-15/h1-5,12,14,16H,6-11,13H2
InChIKeyLEQBEYRLPOIIPA-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.63
Rot. Bonds4

About [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 46564681) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID46564681
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(16-6-7-16)21-8-10-22(11-9-21)19(25)17-12-20-23(14-17)13-15-4-2-1-3-5-15/h1-5,12,14,16H,6-11,13H2
InChIKeyLEQBEYRLPOIIPA-UHFFFAOYSA-N
XLogP1.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460804
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578527

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 46564681) is [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is LEQBEYRLPOIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(16-6-7-16)21-8-10-22(11-9-21)19(25)17-12-20-23(14-17)13-15-4-2-1-3-5-15/h1-5,12,14,16H,6-11,13H2.
What are the key properties of [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 338.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 46564681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).