5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

C23H19F3N4O2 — CID 18987700

IUPAC5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2c2ccncc2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-32-19-8-2-16(3-9-19)21-20(15-10-12-27-13-11-15)14-30(29-21)22(31)28-18-6-4-17(5-7-18)23(24,25)26/h2-13,20H,14H2,1H3,(H,28,31)
InChIKeyNNIRKKZRVBZYJO-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.14
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18987700) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18987700
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2c2ccncc2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-32-19-8-2-16(3-9-19)21-20(15-10-12-27-13-11-15)14-30(29-21)22(31)28-18-6-4-17(5-7-18)23(24,25)26/h2-13,20H,14H2,1H3,(H,28,31)
InChIKeyNNIRKKZRVBZYJO-UHFFFAOYSA-N
XLogP5.14
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18987700) is 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is COc1ccc(C2=NN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2c2ccncc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NNIRKKZRVBZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-32-19-8-2-16(3-9-19)21-20(15-10-12-27-13-11-15)14-30(29-21)22(31)28-18-6-4-17(5-7-18)23(24,25)26/h2-13,20H,14H2,1H3,(H,28,31).
What are the key properties of 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18987700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).