N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C14H19ClN4O2 — CID 119420641

IUPACN-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2cc(C(C)C)[nH]n2)c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-9(20-3)4-5-10(12)15;/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyAHBLLGOOCDOHDT-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.80
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119420641) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119420641
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2cc(C(C)C)[nH]n2)c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-9(20-3)4-5-10(12)15;/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyAHBLLGOOCDOHDT-UHFFFAOYSA-N
XLogP2.80
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
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N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119420652
3,4-dimethoxy-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119214201
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
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N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
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N-(2-amino-5-methoxyphenyl)-5-chlorofuran-2-carboxamide
CID 63258039
N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119420641) is N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)c2cc(C(C)C)[nH]n2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is AHBLLGOOCDOHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-9(20-3)4-5-10(12)15;/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119420641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).