1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide

C19H18F4N4O — CID 162444719

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H18F4N4O/c20-14-5-13-16(6-15(14)21)24-8-17(13)26-18(28)12-7-25-27(10-12)9-11-1-3-19(22,23)4-2-11/h5-8,10-11,24H,1-4,9H2,(H,26,28)
InChIKeyCYWJJFFNVRXFHJ-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.72
Rot. Bonds4

About 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide

1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide (PubChem CID 162444719) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide
PubChem CID162444719
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H18F4N4O/c20-14-5-13-16(6-15(14)21)24-8-17(13)26-18(28)12-7-25-27(10-12)9-11-1-3-19(22,23)4-2-11/h5-8,10-11,24H,1-4,9H2,(H,26,28)
InChIKeyCYWJJFFNVRXFHJ-UHFFFAOYSA-N
XLogP4.72
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138007
2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771575
N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395999
N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57399465
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 156815724
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 156816069
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(3-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
CID 156816145
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 156816411
1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 24790452
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]nipecotamide
CID 24817005
1-[(3,4-difluorophenyl)methyl]-N-(1H-indol-5-ylmethyl)pyrazole-3-carboxamide
CID 145965395

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide (CID 162444719) is 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(CC2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide?
The InChIKey is CYWJJFFNVRXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c20-14-5-13-16(6-15(14)21)24-8-17(13)26-18(28)12-7-25-27(10-12)9-11-1-3-19(22,23)4-2-11/h5-8,10-11,24H,1-4,9H2,(H,26,28).
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide?
1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162444719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).