1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide

C23H27N5O — CID 46669244

IUPAC1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H27N5O/c1-18-14-21(27-12-10-26(2)11-13-27)8-9-22(18)25-23(29)20-15-24-28(17-20)16-19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,25,29)
InChIKeyPQVWTMYTYHLNIL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.24
Rot. Bonds5

About 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 46669244) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID46669244
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H27N5O/c1-18-14-21(27-12-10-26(2)11-13-27)8-9-22(18)25-23(29)20-15-24-28(17-20)16-19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,25,29)
InChIKeyPQVWTMYTYHLNIL-UHFFFAOYSA-N
XLogP3.24
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 166187475
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 18189625
1-(1-ethylpyrazol-4-yl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea
CID 47051831
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]furan-2-carboxamide
CID 18158972
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide (CID 46669244) is 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is PQVWTMYTYHLNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18-14-21(27-12-10-26(2)11-13-27)8-9-22(18)25-23(29)20-15-24-28(17-20)16-19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46669244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).