N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H26ClN7O — CID 119691738

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14-18(15(2)27(24-14)17-6-4-3-5-7-17)12-22-20(28)19-13-26(25-23-19)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H
InChIKeyJKFKRGMGHINOIB-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.36
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119691738) has the molecular formula C20H26ClN7O and a molecular weight of 415.93 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119691738
Molecular FormulaC20H26ClN7O
Molecular Weight415.93 g/mol
Exact Mass415.19
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14-18(15(2)27(24-14)17-6-4-3-5-7-17)12-22-20(28)19-13-26(25-23-19)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H
InChIKeyJKFKRGMGHINOIB-UHFFFAOYSA-N
XLogP2.36
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119691738) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JKFKRGMGHINOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O.ClH/c1-14-18(15(2)27(24-14)17-6-4-3-5-7-17)12-22-20(28)19-13-26(25-23-19)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119691738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).