4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide

C14H14ClF3N4O2 — CID 123918989

IUPAC4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCC(CCO)c1cc(NC(=O)c2nn(C(F)F)cc2Cl)cnc1F
InChIInChI=1S/C14H14ClF3N4O2/c1-7(2-3-23)9-4-8(5-19-12(9)16)20-13(24)11-10(15)6-22(21-11)14(17)18/h4-7,14,23H,2-3H2,1H3,(H,20,24)
InChIKeyRFZWDONBSGCCFS-UHFFFAOYSA-N
MW362.74 g/mol
LogP3.20
Rot. Bonds6

About 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide

4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 123918989) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID123918989
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCC(CCO)c1cc(NC(=O)c2nn(C(F)F)cc2Cl)cnc1F
InChIInChI=1S/C14H14ClF3N4O2/c1-7(2-3-23)9-4-8(5-19-12(9)16)20-13(24)11-10(15)6-22(21-11)14(17)18/h4-7,14,23H,2-3H2,1H3,(H,20,24)
InChIKeyRFZWDONBSGCCFS-UHFFFAOYSA-N
XLogP3.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 66558934
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 90372797
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 87410791
N-[3-[(7aS)-2-amino-4-(difluoromethyl)-6,6-difluoro-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 123656332
N-[3-[(5R)-3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 87411108
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
[(2R,4R)-4-[5-[(5-chloropyridine-2-carbonyl)amino]-2-fluoro-3-pyridinyl]-1,1,1-trifluoropentan-2-yl] carbamimidate
CID 139564319
3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide
CID 144693210
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693470
2-[4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109954
5-chloro-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 71918090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide (CID 123918989) is 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide is CC(CCO)c1cc(NC(=O)c2nn(C(F)F)cc2Cl)cnc1F.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is RFZWDONBSGCCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c1-7(2-3-23)9-4-8(5-19-12(9)16)20-13(24)11-10(15)6-22(21-11)14(17)18/h4-7,14,23H,2-3H2,1H3,(H,20,24).
What are the key properties of 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide?
4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-N-[6-fluoro-5-(4-hydroxybutan-2-yl)-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 123918989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).