N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride

C16H23ClN4O — CID 119655061

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-16(2,11-17)12-19(3)15(21)13-9-18-20(10-13)14-7-5-4-6-8-14;/h4-10H,11-12,17H2,1-3H3;1H
InChIKeyZTJYWWIMVOSWSO-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.35
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119655061) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119655061
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-16(2,11-17)12-19(3)15(21)13-9-18-20(10-13)14-7-5-4-6-8-14;/h4-10H,11-12,17H2,1-3H3;1H
InChIKeyZTJYWWIMVOSWSO-UHFFFAOYSA-N
XLogP2.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(3-amino-2,2-dimethylpropyl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119656188
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
N-(3-amino-2,2-dimethylpropyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-methylacetamide;hydrochloride
CID 119653996
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119655061) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is ZTJYWWIMVOSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-16(2,11-17)12-19(3)15(21)13-9-18-20(10-13)14-7-5-4-6-8-14;/h4-10H,11-12,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119655061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).