N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

C20H24ClN5O — CID 119515976

IUPACN-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)Nc3ccc(N)nc3)c(C(C)(C)C)n2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-13-5-8-15(9-6-13)25-12-16(18(24-25)20(2,3)4)19(26)23-14-7-10-17(21)22-11-14;/h5-12H,1-4H3,(H2,21,22)(H,23,26);1H
InChIKeyURSQGMFFAXOPIE-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.13
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119515976) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119515976
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)Nc3ccc(N)nc3)c(C(C)(C)C)n2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-13-5-8-15(9-6-13)25-12-16(18(24-25)20(2,3)4)19(26)23-14-7-10-17(21)22-11-14;/h5-12H,1-4H3,(H2,21,22)(H,23,26);1H
InChIKeyURSQGMFFAXOPIE-UHFFFAOYSA-N
XLogP4.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 126775891
3-tert-butyl-1-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557851
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
[3-tert-butyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646880
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119515441

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119515976) is N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is Cc1ccc(-n2cc(C(=O)Nc3ccc(N)nc3)c(C(C)(C)C)n2)cc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is URSQGMFFAXOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-13-5-8-15(9-6-13)25-12-16(18(24-25)20(2,3)4)19(26)23-14-7-10-17(21)22-11-14;/h5-12H,1-4H3,(H2,21,22)(H,23,26);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119515976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).