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

C24H29ClN4O — CID 120557405

IUPAC3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-16-9-10-20(17(2)13-16)23-21(15-28(27-23)19-7-5-4-6-8-19)24(29)26-22-11-12-25-14-18(22)3;/h4-10,13,15,18,22,25H,11-12,14H2,1-3H3,(H,26,29);1H
InChIKeyLMQUYXKZRIKMRB-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.31
Rot. Bonds4

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

3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120557405) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID120557405
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-16-9-10-20(17(2)13-16)23-21(15-28(27-23)19-7-5-4-6-8-19)24(29)26-22-11-12-25-14-18(22)3;/h4-10,13,15,18,22,25H,11-12,14H2,1-3H3,(H,26,29);1H
InChIKeyLMQUYXKZRIKMRB-UHFFFAOYSA-N
XLogP4.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119629823
[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
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
3-(2,4-dimethylphenyl)-N'-(furan-2-carbonyl)-1-phenylpyrazole-4-carbohydrazide
CID 9366857
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 120557405) is 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNCC2C)c(C)c1.Cl.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is LMQUYXKZRIKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-16-9-10-20(17(2)13-16)23-21(15-28(27-23)19-7-5-4-6-8-19)24(29)26-22-11-12-25-14-18(22)3;/h4-10,13,15,18,22,25H,11-12,14H2,1-3H3,(H,26,29);1H.
What are the key properties of 3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 4.31, 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-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120557405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).