N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C21H23FN4O — CID 97124759

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)N(C)C
InChIInChI=1S/C21H23FN4O/c1-14-6-4-5-7-17(14)20(26(2)3)13-23-21(27)19-12-18(24-25-19)15-8-10-16(22)11-9-15/h4-12,20H,13H2,1-3H3,(H,23,27)(H,24,25)/t20-/m0/s1
InChIKeyBOEOPDBVSMVAJO-FQEVSTJZSA-N
MW366.44 g/mol
LogP3.56
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 97124759) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID97124759
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)N(C)C
InChIInChI=1S/C21H23FN4O/c1-14-6-4-5-7-17(14)20(26(2)3)13-23-21(27)19-12-18(24-25-19)15-8-10-16(22)11-9-15/h4-12,20H,13H2,1-3H3,(H,23,27)(H,24,25)/t20-/m0/s1
InChIKeyBOEOPDBVSMVAJO-FQEVSTJZSA-N
XLogP3.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 97124759) is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BOEOPDBVSMVAJO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14-6-4-5-7-17(14)20(26(2)3)13-23-21(27)19-12-18(24-25-19)15-8-10-16(22)11-9-15/h4-12,20H,13H2,1-3H3,(H,23,27)(H,24,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97124759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).