4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C18H25ClN4O2 — CID 119514811

IUPAC4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCN3)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-12(2)13-5-7-15(8-6-13)22-11-16(23)17(21-22)18(24)20-10-14-4-3-9-19-14;/h5-8,11-12,14,19,23H,3-4,9-10H2,1-2H3,(H,20,24);1H
InChIKeyVWZWFOCFHAPRMA-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.60
Rot. Bonds5

About 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119514811) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119514811
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCN3)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-12(2)13-5-7-15(8-6-13)22-11-16(23)17(21-22)18(24)20-10-14-4-3-9-19-14;/h5-8,11-12,14,19,23H,3-4,9-10H2,1-2H3,(H,20,24);1H
InChIKeyVWZWFOCFHAPRMA-UHFFFAOYSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119464684
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119509580
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
[3-(1-aminoethyl)piperidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119596854
3-(2-methoxyphenyl)-1-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775439
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 155944583

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 119514811) is 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is CC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCN3)n2)cc1.Cl.
What is the InChIKey of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VWZWFOCFHAPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-12(2)13-5-7-15(8-6-13)22-11-16(23)17(21-22)18(24)20-10-14-4-3-9-19-14;/h5-8,11-12,14,19,23H,3-4,9-10H2,1-2H3,(H,20,24);1H.
What are the key properties of 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119514811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).