N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C17H16ClF2N5O — CID 19523573

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16ClF2N5O/c1-11-8-14(17(19)20)22-25(11)10-16(26)21-15-6-7-24(23-15)9-12-2-4-13(18)5-3-12/h2-8,17H,9-10H2,1H3,(H,21,23,26)
InChIKeyPWNMWBWPOGZYGC-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.67
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19523573) has the molecular formula C17H16ClF2N5O and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19523573
Molecular FormulaC17H16ClF2N5O
Molecular Weight379.80 g/mol
Exact Mass379.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16ClF2N5O/c1-11-8-14(17(19)20)22-25(11)10-16(26)21-15-6-7-24(23-15)9-12-2-4-13(18)5-3-12/h2-8,17H,9-10H2,1H3,(H,21,23,26)
InChIKeyPWNMWBWPOGZYGC-UHFFFAOYSA-N
XLogP3.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517990
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518157
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519622
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518288
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]ethanone
CID 19527527
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19518175
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503718
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19529556

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19523573) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is PWNMWBWPOGZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N5O/c1-11-8-14(17(19)20)22-25(11)10-16(26)21-15-6-7-24(23-15)9-12-2-4-13(18)5-3-12/h2-8,17H,9-10H2,1H3,(H,21,23,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 379.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19523573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).