N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide

C18H15ClFN3O — CID 19402743

IUPACN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nn(Cc3cccc(F)c3)cc2Cl)cc1
InChIInChI=1S/C18H15ClFN3O/c1-12-5-7-14(8-6-12)18(24)21-17-16(19)11-23(22-17)10-13-3-2-4-15(20)9-13/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyIWFHYGZRKRSXNW-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.28
Rot. Bonds4

About N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide (PubChem CID 19402743) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
PubChem CID19402743
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nn(Cc3cccc(F)c3)cc2Cl)cc1
InChIInChI=1S/C18H15ClFN3O/c1-12-5-7-14(8-6-12)18(24)21-17-16(19)11-23(22-17)10-13-3-2-4-15(20)9-13/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyIWFHYGZRKRSXNW-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19402777
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19402766
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19402779
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402799
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19401125
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508873
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19401233
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethylphenyl)thiourea
CID 19401220
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide (CID 19402743) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nn(Cc3cccc(F)c3)cc2Cl)cc1.
What is the InChIKey of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The InChIKey is IWFHYGZRKRSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-5-7-14(8-6-12)18(24)21-17-16(19)11-23(22-17)10-13-3-2-4-15(20)9-13/h2-9,11H,10H2,1H3,(H,21,22,24).
What are the key properties of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide has a molecular weight of 343.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 19402743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).