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

C23H27ClN4O2 — CID 119616115

IUPACN-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15-6-10-18(11-7-15)27-14-20(23(28)25-21(13-24)16-8-9-16)22(26-27)17-4-3-5-19(12-17)29-2;/h3-7,10-12,14,16,21H,8-9,13,24H2,1-2H3,(H,25,28);1H
InChIKeyWIUOCXZVOLXXSZ-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.75
Rot. Bonds7

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

N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119616115) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119616115
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(CN)C2CC2)c1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15-6-10-18(11-7-15)27-14-20(23(28)25-21(13-24)16-8-9-16)22(26-27)17-4-3-5-19(12-17)29-2;/h3-7,10-12,14,16,21H,8-9,13,24H2,1-2H3,(H,25,28);1H
InChIKeyWIUOCXZVOLXXSZ-UHFFFAOYSA-N
XLogP3.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119998111
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N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
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3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
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[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119616115) is N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(CN)C2CC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WIUOCXZVOLXXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-15-6-10-18(11-7-15)27-14-20(23(28)25-21(13-24)16-8-9-16)22(26-27)17-4-3-5-19(12-17)29-2;/h3-7,10-12,14,16,21H,8-9,13,24H2,1-2H3,(H,25,28);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119616115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).