(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

C20H23N5O — CID 20892633

IUPAC(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C20H23N5O/c1-16-18(20(26)24-14-12-22(2)13-15-24)19(23-10-6-7-11-23)25(21-16)17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3
InChIKeyAWZCEDHSTFSDBP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds3

About (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 20892633) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID20892633
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C20H23N5O/c1-16-18(20(26)24-14-12-22(2)13-15-24)19(23-10-6-7-11-23)25(21-16)17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3
InChIKeyAWZCEDHSTFSDBP-UHFFFAOYSA-N
XLogP2.36
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20892732
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769460
[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915242
ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 46277002
N-[2-(diethylamino)ethyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892763
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936655
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 20892633) is (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AWZCEDHSTFSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-18(20(26)24-14-12-22(2)13-15-24)19(23-10-6-7-11-23)25(21-16)17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3.
What are the key properties of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20892633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).