3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

C24H28N4O — CID 120601286

IUPAC3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC(C)C2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-16-9-10-21(17(2)13-16)23-22(15-28(27-23)20-7-5-4-6-8-20)24(29)26-19-11-12-25-18(3)14-19/h4-10,13,15,18-19,25H,11-12,14H2,1-3H3,(H,26,29)
InChIKeyCDANJOQAJNNYFB-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.03
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 120601286) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID120601286
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC(C)C2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-16-9-10-21(17(2)13-16)23-22(15-28(27-23)20-7-5-4-6-8-20)24(29)26-19-11-12-25-18(3)14-19/h4-10,13,15,18-19,25H,11-12,14H2,1-3H3,(H,26,29)
InChIKeyCDANJOQAJNNYFB-UHFFFAOYSA-N
XLogP4.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120557405
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119629823
methyl 4-[[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 33234625
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 120601286) is 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC(C)C2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CDANJOQAJNNYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-9-10-21(17(2)13-16)23-22(15-28(27-23)20-7-5-4-6-8-20)24(29)26-19-11-12-25-18(3)14-19/h4-10,13,15,18-19,25H,11-12,14H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 120601286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).