(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C18H22N4O — CID 20906513

IUPAC(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(17-12-16(19-20-17)15-6-7-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-5,12,15H,6-11,13H2,(H,19,20)
InChIKeyFRCNNUJUEIGPQF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.25
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 20906513) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID20906513
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(17-12-16(19-20-17)15-6-7-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-5,12,15H,6-11,13H2,(H,19,20)
InChIKeyFRCNNUJUEIGPQF-UHFFFAOYSA-N
XLogP2.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Facinicline
CID 9970357
(E)-3-cyclopropyl-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide
CID 1828737
3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 5
CID 121279569
US10022354, Example 61
CID 121279700
US10022354, Example 183
CID 121279732
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
(3R)-3-amino-1-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-4-(2,5-difluorophenyl)butan-1-one
CID 23645934
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118483410
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 20906513) is (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is FRCNNUJUEIGPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(17-12-16(19-20-17)15-6-7-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-5,12,15H,6-11,13H2,(H,19,20).
What are the key properties of (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 20906513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).