2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide

C19H16FN7O — CID 138989638

IUPAC2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN7O/c20-15-1-3-16(4-2-15)27-22-13-17(24-27)19(28)23-18-8-12-26(25-18)11-7-14-5-9-21-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,23,25,28)
InChIKeyBKESMSDNUFCVLK-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.49
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide

2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide (PubChem CID 138989638) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
PubChem CID138989638
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN7O/c20-15-1-3-16(4-2-15)27-22-13-17(24-27)19(28)23-18-8-12-26(25-18)11-7-14-5-9-21-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,23,25,28)
InChIKeyBKESMSDNUFCVLK-UHFFFAOYSA-N
XLogP2.49
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989610
N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824981
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 47091413
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166231335
6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 51130808

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide (CID 138989638) is 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The InChIKey is BKESMSDNUFCVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O/c20-15-1-3-16(4-2-15)27-22-13-17(24-27)19(28)23-18-8-12-26(25-18)11-7-14-5-9-21-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,23,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 138989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).