N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide

C20H19F2N3OS — CID 166193070

IUPACN-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)C1CC1
InChIInChI=1S/C20H19F2N3OS/c1-12(2)24(14-6-7-14)20(26)16-11-18(19-4-3-9-27-19)25(23-16)17-8-5-13(21)10-15(17)22/h3-5,8-12,14H,6-7H2,1-2H3
InChIKeyCHSZQZPPICOVIC-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.89
Rot. Bonds5

About N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide

N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 166193070) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID166193070
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC NameN-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)C1CC1
InChIInChI=1S/C20H19F2N3OS/c1-12(2)24(14-6-7-14)20(26)16-11-18(19-4-3-9-27-19)25(23-16)17-8-5-13(21)10-15(17)22/h3-5,8-12,14H,6-7H2,1-2H3
InChIKeyCHSZQZPPICOVIC-UHFFFAOYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 42943811
2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 122067551
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 43542791
N-cyclopentyl-N-cyclopropyl-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166198046
1-(2,4-difluorophenyl)-5-methyl-N,N-bis(prop-2-ynyl)pyrazole-3-carboxamide
CID 75387472
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 42880596
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
3-(2,4-difluorophenyl)-N-(2-thiophen-2-ylethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029710
1-(2,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588247

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 166193070) is N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide is CC(C)N(C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is CHSZQZPPICOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c1-12(2)24(14-6-7-14)20(26)16-11-18(19-4-3-9-27-19)25(23-16)17-8-5-13(21)10-15(17)22/h3-5,8-12,14H,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,4-difluorophenyl)-N-propan-2-yl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166193070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).