(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C19H20N6O — CID 42024012

IUPAC(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(17-12-22-25(15-17)14-16-4-2-1-3-5-16)24-10-8-23(9-11-24)18-13-20-6-7-21-18/h1-7,12-13,15H,8-11,14H2
InChIKeyQCXYBSUEEKYYCY-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.68
Rot. Bonds4

About (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42024012) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42024012
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(17-12-22-25(15-17)14-16-4-2-1-3-5-16)24-10-8-23(9-11-24)18-13-20-6-7-21-18/h1-7,12-13,15H,8-11,14H2
InChIKeyQCXYBSUEEKYYCY-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
2-[4-(1-benzylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86833369
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646074
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958790

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42024012) is (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QCXYBSUEEKYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(17-12-22-25(15-17)14-16-4-2-1-3-5-16)24-10-8-23(9-11-24)18-13-20-6-7-21-18/h1-7,12-13,15H,8-11,14H2.
What are the key properties of (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42024012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).