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

C18H18N6O — CID 42024013

IUPAC(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(15-12-21-24(14-15)16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-13-19-6-7-20-17/h1-7,12-14H,8-11H2
InChIKeyCAMJCSUTZYPIQK-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.62
Rot. Bonds3

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

(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42024013) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42024013
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18N6O/c25-18(15-12-21-24(14-15)16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-13-19-6-7-20-17/h1-7,12-14H,8-11H2
InChIKeyCAMJCSUTZYPIQK-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958883
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42024013) is (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CAMJCSUTZYPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(15-12-21-24(14-15)16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-13-19-6-7-20-17/h1-7,12-14H,8-11H2.
What are the key properties of (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42024013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).