[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

C22H22N4O2 — CID 110328575

IUPAC[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n[nH]1
InChIInChI=1S/C22H22N4O2/c1-16-15-20(24-23-16)22(28)26-13-11-25(12-14-26)21(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24)
InChIKeyIPTFFMFUPLGGTR-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.98
Rot. Bonds3

About [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 110328575) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID110328575
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n[nH]1
InChIInChI=1S/C22H22N4O2/c1-16-15-20(24-23-16)22(28)26-13-11-25(12-14-26)21(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24)
InChIKeyIPTFFMFUPLGGTR-UHFFFAOYSA-N
XLogP2.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910896
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122058157
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
CID 110328586
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 110328575) is [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n[nH]1.
What is the InChIKey of [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is IPTFFMFUPLGGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-15-20(24-23-16)22(28)26-13-11-25(12-14-26)21(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,24).
What are the key properties of [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 110328575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).