N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C15H21ClN8O — CID 137095502

IUPACN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3(n4cccn4)CCNCC3)c12.Cl
InChIInChI=1S/C15H20N8O.ClH/c1-10-11-12(19-20-13(11)22(2)21-10)18-14(24)15(4-7-16-8-5-15)23-9-3-6-17-23;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H2,18,19,20,24);1H
InChIKeyWQKYKFCEPWFFKN-UHFFFAOYSA-N
MW364.84 g/mol
LogP0.94
Rot. Bonds3

About N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 137095502) has the molecular formula C15H21ClN8O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID137095502
Molecular FormulaC15H21ClN8O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3(n4cccn4)CCNCC3)c12.Cl
InChIInChI=1S/C15H20N8O.ClH/c1-10-11-12(19-20-13(11)22(2)21-10)18-14(24)15(4-7-16-8-5-15)23-9-3-6-17-23;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H2,18,19,20,24);1H
InChIKeyWQKYKFCEPWFFKN-UHFFFAOYSA-N
XLogP0.94
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 120925026
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CID 120930988
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
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N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
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CID 120943007
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
(3aS,7aR)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 137095502) is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1nn(C)c2n[nH]c(NC(=O)C3(n4cccn4)CCNCC3)c12.Cl.
What is the InChIKey of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WQKYKFCEPWFFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O.ClH/c1-10-11-12(19-20-13(11)22(2)21-10)18-14(24)15(4-7-16-8-5-15)23-9-3-6-17-23;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H2,18,19,20,24);1H.
What are the key properties of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 137095502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).