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

C19H27ClN4O2 — CID 119464684

IUPAC4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCNC3)n2)cc1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(2)15-5-7-16(8-6-15)23-12-17(24)18(22-23)19(25)21-11-14-4-3-9-20-10-14;/h5-8,12-14,20,24H,3-4,9-11H2,1-2H3,(H,21,25);1H
InChIKeyMXLYZDMQLVJRTQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.85
Rot. Bonds5

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

4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119464684) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119464684
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCNC3)n2)cc1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(2)15-5-7-16(8-6-15)23-12-17(24)18(22-23)19(25)21-11-14-4-3-9-20-10-14;/h5-8,12-14,20,24H,3-4,9-11H2,1-2H3,(H,21,25);1H
InChIKeyMXLYZDMQLVJRTQ-UHFFFAOYSA-N
XLogP2.85
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119454366
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119463429
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
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N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119509580
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119463358
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
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1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (CID 119464684) is 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is CC(C)c1ccc(-n2cc(O)c(C(=O)NCC3CCCNC3)n2)cc1.Cl.
What is the InChIKey of 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MXLYZDMQLVJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13(2)15-5-7-16(8-6-15)23-12-17(24)18(22-23)19(25)21-11-14-4-3-9-20-10-14;/h5-8,12-14,20,24H,3-4,9-11H2,1-2H3,(H,21,25);1H.
What are the key properties of 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119464684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).