N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride

C16H17ClF4N4O — CID 119617660

IUPACN-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)C1CC1
InChIInChI=1S/C16H16F4N4O.ClH/c17-11-3-1-2-4-13(11)24-14(16(18,19)20)10(8-22-24)15(25)23-12(7-21)9-5-6-9;/h1-4,8-9,12H,5-7,21H2,(H,23,25);1H
InChIKeyMSLMPQBSKNMWJU-UHFFFAOYSA-N
MW392.78 g/mol
LogP2.92
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119617660) has the molecular formula C16H17ClF4N4O and a molecular weight of 392.78 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119617660
Molecular FormulaC16H17ClF4N4O
Molecular Weight392.78 g/mol
Exact Mass392.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)C1CC1
InChIInChI=1S/C16H16F4N4O.ClH/c17-11-3-1-2-4-13(11)24-14(16(18,19)20)10(8-22-24)15(25)23-12(7-21)9-5-6-9;/h1-4,8-9,12H,5-7,21H2,(H,23,25);1H
InChIKeyMSLMPQBSKNMWJU-UHFFFAOYSA-N
XLogP2.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119617665
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694
1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827033
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 124683176
1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112843324
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 119614350
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827081
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride (CID 119617660) is N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is MSLMPQBSKNMWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O.ClH/c17-11-3-1-2-4-13(11)24-14(16(18,19)20)10(8-22-24)15(25)23-12(7-21)9-5-6-9;/h1-4,8-9,12H,5-7,21H2,(H,23,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 392.78 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119617660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).