1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C22H25ClN4O — CID 126775451

IUPAC1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)NCC3CCCN3)c(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-16-9-11-19(12-10-16)26-15-20(21(25-26)17-6-3-2-4-7-17)22(27)24-14-18-8-5-13-23-18;/h2-4,6-7,9-12,15,18,23H,5,8,13-14H2,1H3,(H,24,27);1H
InChIKeyGIPPHWQYXIINHS-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 126775451) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID126775451
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)NCC3CCCN3)c(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-16-9-11-19(12-10-16)26-15-20(21(25-26)17-6-3-2-4-7-17)22(27)24-14-18-8-5-13-23-18;/h2-4,6-7,9-12,15,18,23H,5,8,13-14H2,1H3,(H,24,27);1H
InChIKeyGIPPHWQYXIINHS-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775439
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-methyl-3-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119510745
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 96509284

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 126775451) is 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cc1ccc(-n2cc(C(=O)NCC3CCCN3)c(-c3ccccc3)n2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is GIPPHWQYXIINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-16-9-11-19(12-10-16)26-15-20(21(25-26)17-6-3-2-4-7-17)22(27)24-14-18-8-5-13-23-18;/h2-4,6-7,9-12,15,18,23H,5,8,13-14H2,1H3,(H,24,27);1H.
What are the key properties of 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 126775451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).