N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

C19H26N4O2 — CID 75382083

IUPACN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-14-18(12-22(2)21-14)19(25)20-17-5-3-4-16(10-17)11-23-8-6-15(13-24)7-9-23/h3-5,10,12,15,24H,6-9,11,13H2,1-2H3,(H,20,25)
InChIKeyXVKVHFYRENIIEL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.19
Rot. Bonds5

About N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 75382083) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID75382083
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-14-18(12-22(2)21-14)19(25)20-17-5-3-4-16(10-17)11-23-8-6-15(13-24)7-9-23/h3-5,10,12,15,24H,6-9,11,13H2,1-2H3,(H,20,25)
InChIKeyXVKVHFYRENIIEL-UHFFFAOYSA-N
XLogP2.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(3-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850903
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
Tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-1-(3-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024212
1-(4-fluorophenyl)-5-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 33949425
5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
CID 71937057
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90682477

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 75382083) is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XVKVHFYRENIIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-18(12-22(2)21-14)19(25)20-17-5-3-4-16(10-17)11-23-8-6-15(13-24)7-9-23/h3-5,10,12,15,24H,6-9,11,13H2,1-2H3,(H,20,25).
What are the key properties of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 75382083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).