(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

C21H16F2N4O — CID 134152614

IUPAC(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccncc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/m0/s1
InChIKeyRDQXNTXNNZITKD-FQEVSTJZSA-N
MW378.38 g/mol
LogP4.74
Rot. Bonds3

About (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide

(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134152614) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134152614
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccncc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/m0/s1
InChIKeyRDQXNTXNNZITKD-FQEVSTJZSA-N
XLogP4.74
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide (CID 134152614) is (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(F)cc1)N1N=C(c2ccncc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RDQXNTXNNZITKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/m0/s1.
What are the key properties of (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide?
(3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-bis(4-fluorophenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134152614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).