2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C19H17ClF2N4O — CID 154873528

IUPAC2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnn(C)c2C(F)F)c1
InChIInChI=1S/C19H17ClF2N4O/c1-11-3-4-23-10-16(11)25-17(27)7-12-5-13(8-14(20)6-12)15-9-24-26(2)18(15)19(21)22/h3-6,8-10,19H,7H2,1-2H3,(H,25,27)
InChIKeyOLNZSLRRSLAEOL-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.56
Rot. Bonds5

About 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 154873528) has the molecular formula C19H17ClF2N4O and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID154873528
Molecular FormulaC19H17ClF2N4O
Molecular Weight390.82 g/mol
Exact Mass390.11
IUPAC Name2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnn(C)c2C(F)F)c1
InChIInChI=1S/C19H17ClF2N4O/c1-11-3-4-23-10-16(11)25-17(27)7-12-5-13(8-14(20)6-12)15-9-24-26(2)18(15)19(21)22/h3-6,8-10,19H,7H2,1-2H3,(H,25,27)
InChIKeyOLNZSLRRSLAEOL-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
(9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285705
CID 118286034
CID 118286034
CID 118286035
CID 118286035
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 164614581
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 164624443
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
CID 164624692
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(3-pyridinylmethyl)-1H-pyrazol-4-yl]acetamide
CID 46887252

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 154873528) is 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnn(C)c2C(F)F)c1.
What is the InChIKey of 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is OLNZSLRRSLAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O/c1-11-3-4-23-10-16(11)25-17(27)7-12-5-13(8-14(20)6-12)15-9-24-26(2)18(15)19(21)22/h3-6,8-10,19H,7H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 390.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[5-(difluoromethyl)-1-methylpyrazol-4-yl]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 154873528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).