N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

C22H27ClN4O2 — CID 119998111

IUPACN-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-15-7-9-18(10-8-15)26-14-20(22(27)24-13-16(2)12-23)21(25-26)17-5-4-6-19(11-17)28-3;/h4-11,14,16H,12-13,23H2,1-3H3,(H,24,27);1H
InChIKeyMYTNJAZIDPQSGI-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.60
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119998111) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119998111
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-15-7-9-18(10-8-15)26-14-20(22(27)24-13-16(2)12-23)21(25-26)17-5-4-6-19(11-17)28-3;/h4-11,14,16H,12-13,23H2,1-3H3,(H,24,27);1H
InChIKeyMYTNJAZIDPQSGI-UHFFFAOYSA-N
XLogP3.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 39862810
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46510476
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
CID 43062299
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119998111) is N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC(C)CN)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is MYTNJAZIDPQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-15-7-9-18(10-8-15)26-14-20(22(27)24-13-16(2)12-23)21(25-26)17-5-4-6-19(11-17)28-3;/h4-11,14,16H,12-13,23H2,1-3H3,(H,24,27);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119998111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).