3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide

C19H19F2N3O — CID 10172193

IUPAC3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C19H19F2N3O/c1-19(13-7-5-4-6-8-13)12-17(22-24(19)18(25)23(2)3)15-11-14(20)9-10-16(15)21/h4-11H,12H2,1-3H3
InChIKeyLRZHPQLKGBUNJW-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.97
Rot. Bonds2

About 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide

3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 10172193) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID10172193
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C19H19F2N3O/c1-19(13-7-5-4-6-8-13)12-17(22-24(19)18(25)23(2)3)15-11-14(20)9-10-16(15)21/h4-11H,12H2,1-3H3
InChIKeyLRZHPQLKGBUNJW-UHFFFAOYSA-N
XLogP3.97
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide (CID 10172193) is 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide is CN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is LRZHPQLKGBUNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-19(13-7-5-4-6-8-13)12-17(22-24(19)18(25)23(2)3)15-11-14(20)9-10-16(15)21/h4-11H,12H2,1-3H3.
What are the key properties of 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N,N,5-trimethyl-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10172193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).