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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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443061
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
5,6-Bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 18369305
1-[(3-Methoxyphenyl)methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 68521624
1-[4-(2-Amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68523303
1-(2-Methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 3912902
1-[1-(4-Fluorophenyl)propan-2-yl]-3-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]urea
CID 71456493
1-[(E)-[(4-methoxyphenyl)-pyridin-2-ylmethylidene]amino]-3-phenylthiourea
CID 71717318
N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134133525
(5R)-N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134141633
(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134150489
N-(3-methoxyphenyl)-N'-[4-(4-pyridinylmethyl)phenyl]urea
CID 769387

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).