N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

C19H17F2N5O2 — CID 167887221

IUPACN-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc(NC(=O)C(F)(F)c3ccncc3)c2)c1C
InChIInChI=1S/C19H17F2N5O2/c1-11-12(2)25-26-16(11)17(27)23-14-4-3-5-15(10-14)24-18(28)19(20,21)13-6-8-22-9-7-13/h3-10H,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyDSMXWJMIAZHHBW-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.40
Rot. Bonds5

About N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 167887221) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID167887221
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC NameN-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc(NC(=O)C(F)(F)c3ccncc3)c2)c1C
InChIInChI=1S/C19H17F2N5O2/c1-11-12(2)25-26-16(11)17(27)23-14-4-3-5-15(10-14)24-18(28)19(20,21)13-6-8-22-9-7-13/h3-10H,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyDSMXWJMIAZHHBW-UHFFFAOYSA-N
XLogP3.40
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859670
ethyl N-[3-[[5-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]pyrimidin-2-yl]amino]phenyl]carbamate
CID 86728007
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 166816512
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 167887221) is N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cccc(NC(=O)C(F)(F)c3ccncc3)c2)c1C.
What is the InChIKey of N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is DSMXWJMIAZHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-11-12(2)25-26-16(11)17(27)23-14-4-3-5-15(10-14)24-18(28)19(20,21)13-6-8-22-9-7-13/h3-10H,1-2H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-difluoro-2-pyridin-4-ylacetyl)amino]phenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167887221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).