N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C19H15F5N4O — CID 47022577

IUPACN-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(F)c(F)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H15F5N4O/c1-11-14(18(29)27(2)10-12-3-5-15(20)16(21)7-12)9-26-28(11)17-6-4-13(8-25-17)19(22,23)24/h3-9H,10H2,1-2H3
InChIKeyDNRQWZMLHQOYQR-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.14
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 47022577) has the molecular formula C19H15F5N4O and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID47022577
Molecular FormulaC19H15F5N4O
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(F)c(F)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H15F5N4O/c1-11-14(18(29)27(2)10-12-3-5-15(20)16(21)7-12)9-26-28(11)17-6-4-13(8-25-17)19(22,23)24/h3-9H,10H2,1-2H3
InChIKeyDNRQWZMLHQOYQR-UHFFFAOYSA-N
XLogP4.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-(2-methylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 134059010
N-methoxy-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46577649
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049895
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55512167
N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 71909128
N-(2-fluoro-4-methylphenyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 31312673
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55669307
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 110000971
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 32992071
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43070297

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 47022577) is N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(F)c(F)c2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is DNRQWZMLHQOYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O/c1-11-14(18(29)27(2)10-12-3-5-15(20)16(21)7-12)9-26-28(11)17-6-4-13(8-25-17)19(22,23)24/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).