N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide

C18H21FN6O — CID 42095251

IUPACN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C18H21FN6O/c1-11-17(12(2)21-20-11)13(3)24(4)18(26)16-10-25(23-22-16)9-14-7-5-6-8-15(14)19/h5-8,10,13H,9H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyUGSZCUWOMXMTLT-CYBMUJFWSA-N
MW356.41 g/mol
LogP2.64
Rot. Bonds5

About N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide

N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 42095251) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID42095251
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C18H21FN6O/c1-11-17(12(2)21-20-11)13(3)24(4)18(26)16-10-25(23-22-16)9-14-7-5-6-8-15(14)19/h5-8,10,13H,9H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyUGSZCUWOMXMTLT-CYBMUJFWSA-N
XLogP2.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 25277558
1-[(4-fluorophenyl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 42199626
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1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide (CID 42095251) is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide is Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is UGSZCUWOMXMTLT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-11-17(12(2)21-20-11)13(3)24(4)18(26)16-10-25(23-22-16)9-14-7-5-6-8-15(14)19/h5-8,10,13H,9H2,1-4H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 42095251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).