N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

C16H23ClN4O — CID 119643000

IUPACN-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-3-16(17,4-2)11-18-15(21)14-10-13(19-20-14)12-8-6-5-7-9-12;/h5-10H,3-4,11,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyPLFFJKXEFDQMTO-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.75
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119643000) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119643000
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-3-16(17,4-2)11-18-15(21)14-10-13(19-20-14)12-8-6-5-7-9-12;/h5-10H,3-4,11,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyPLFFJKXEFDQMTO-UHFFFAOYSA-N
XLogP2.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119643846
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride (CID 119643000) is N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is PLFFJKXEFDQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-3-16(17,4-2)11-18-15(21)14-10-13(19-20-14)12-8-6-5-7-9-12;/h5-10H,3-4,11,17H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119643000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).