[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H22N6O — CID 47877940

IUPAC[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H22N6O/c31-23(28-14-16-29(17-15-28)24-25-11-5-12-26-24)20-8-4-9-21(18-20)30-22(10-13-27-30)19-6-2-1-3-7-19/h1-13,18H,14-17H2
InChIKeyPNVHDKGSJBWZQK-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.29
Rot. Bonds4

About [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 47877940) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID47877940
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H22N6O/c31-23(28-14-16-29(17-15-28)24-25-11-5-12-26-24)20-8-4-9-21(18-20)30-22(10-13-27-30)19-6-2-1-3-7-19/h1-13,18H,14-17H2
InChIKeyPNVHDKGSJBWZQK-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120806512
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474

Frequently Asked Questions

What is the IUPAC name of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 47877940) is [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PNVHDKGSJBWZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-23(28-14-16-29(17-15-28)24-25-11-5-12-26-24)20-8-4-9-21(18-20)30-22(10-13-27-30)19-6-2-1-3-7-19/h1-13,18H,14-17H2.
What are the key properties of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 47877940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).