1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C19H16ClF2N3O — CID 55576681

IUPAC1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2N3O/c1-11(2)18-15(10-23-25(18)14-5-3-4-12(20)8-14)19(26)24-17-7-6-13(21)9-16(17)22/h3-11H,1-2H3,(H,24,26)
InChIKeyYROANKCQHQODHA-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.18
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55576681) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55576681
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2N3O/c1-11(2)18-15(10-23-25(18)14-5-3-4-12(20)8-14)19(26)24-17-7-6-13(21)9-16(17)22/h3-11H,1-2H3,(H,24,26)
InChIKeyYROANKCQHQODHA-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55898914
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55576681) is 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YROANKCQHQODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-11(2)18-15(10-23-25(18)14-5-3-4-12(20)8-14)19(26)24-17-7-6-13(21)9-16(17)22/h3-11H,1-2H3,(H,24,26).
What are the key properties of 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55576681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).