[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone

C26H27N5O — CID 3510138

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c1-20-9-6-7-12-23(20)29-15-17-30(18-16-29)26(32)25-19-22(24-13-8-14-28(24)2)27-31(25)21-10-4-3-5-11-21/h3-14,19H,15-18H2,1-2H3
InChIKeyJNFBYBAUMNNCMX-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.15
Rot. Bonds4

About [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone (PubChem CID 3510138) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
PubChem CID3510138
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c1-20-9-6-7-12-23(20)29-15-17-30(18-16-29)26(32)25-19-22(24-13-8-14-28(24)2)27-31(25)21-10-4-3-5-11-21/h3-14,19H,15-18H2,1-2H3
InChIKeyJNFBYBAUMNNCMX-UHFFFAOYSA-N
XLogP4.15
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 3934470
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 4040935
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 3965853
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 4265060
(4-benzylpiperazin-1-yl)-[1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 3693789
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3954980
[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42749623
[1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3579029
ethyl 4-[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 3904099
(4-ethylpiperazin-4-ium-1-yl)-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 7360582
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3907303
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758831

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone (CID 3510138) is [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone?
The InChIKey is JNFBYBAUMNNCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-20-9-6-7-12-23(20)29-15-17-30(18-16-29)26(32)25-19-22(24-13-8-14-28(24)2)27-31(25)21-10-4-3-5-11-21/h3-14,19H,15-18H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone has a molecular weight of 425.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone is sourced from PubChem (CID 3510138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).