5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

C20H29ClN4O — CID 119823592

IUPAC5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNCC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-4-13-23(17-9-11-21-12-10-17)20(25)18-14-22-24(16(18)3)19-8-6-5-7-15(19)2;/h5-8,14,17,21H,4,9-13H2,1-3H3;1H
InChIKeyWFSSZDUGUUVTLM-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.52
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119823592) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID119823592
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNCC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-4-13-23(17-9-11-21-12-10-17)20(25)18-14-22-24(16(18)3)19-8-6-5-7-15(19)2;/h5-8,14,17,21H,4,9-13H2,1-3H3;1H
InChIKeyWFSSZDUGUUVTLM-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
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CID 119825262
5-methyl-N-propyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119532120
5-methyl-N-piperidin-4-yl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119824619
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
8-methyl-4-oxo-N-piperidin-4-yl-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119823486

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (CID 119823592) is 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is WFSSZDUGUUVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-4-13-23(17-9-11-21-12-10-17)20(25)18-14-22-24(16(18)3)19-8-6-5-7-15(19)2;/h5-8,14,17,21H,4,9-13H2,1-3H3;1H.
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119823592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).