N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide

C20H19ClFN3O — CID 42754822

IUPACN-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClFN3O/c1-3-13(2)23-20(26)19-12-18(16-9-4-5-10-17(16)22)24-25(19)15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyWVADYIPARAGHMZ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.86
Rot. Bonds5

About N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide

N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 42754822) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
PubChem CID42754822
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC NameN-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClFN3O/c1-3-13(2)23-20(26)19-12-18(16-9-4-5-10-17(16)22)24-25(19)15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyWVADYIPARAGHMZ-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(2-fluorophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 4006120
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063397
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide (CID 42754822) is N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(-c2ccccc2F)nn1-c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is WVADYIPARAGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-3-13(2)23-20(26)19-12-18(16-9-4-5-10-17(16)22)24-25(19)15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 371.84 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42754822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).