1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide

C16H11ClF2N4O — CID 175813814

IUPAC1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(C(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H11ClF2N4O/c17-10-7-4-8-21-16(10)23-13(15(20)24)11(12(22-23)14(18)19)9-5-2-1-3-6-9/h1-8,14H,(H2,20,24)
InChIKeyKWASSGMRBOVMSA-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide (PubChem CID 175813814) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide
PubChem CID175813814
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)c(C(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H11ClF2N4O/c17-10-7-4-8-21-16(10)23-13(15(20)24)11(12(22-23)14(18)19)9-5-2-1-3-6-9/h1-8,14H,(H2,20,24)
InChIKeyKWASSGMRBOVMSA-UHFFFAOYSA-N
XLogP3.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 86606804
3-bromo-4-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141331734
4-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(fluoromethoxy)pyrazole-5-carboxamide
CID 153455226
3-chloro-2-phenylpyridine;2-methylpropanoic acid
CID 174792779
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 154110164
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
1-(3-chloro-2-pyridinyl)-3-(nitrosomethyl)pyrazole-5-carboxylic acid
CID 123366023
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide (CID 175813814) is 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide is NC(=O)c1c(-c2ccccc2)c(C(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide?
The InChIKey is KWASSGMRBOVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c17-10-7-4-8-21-16(10)23-13(15(20)24)11(12(22-23)14(18)19)9-5-2-1-3-6-9/h1-8,14H,(H2,20,24).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide has a molecular weight of 348.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 175813814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).