5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C24H31FN6O — CID 123710696

IUPAC5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(CCC(C)C3CCC(C)(F)CC3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C24H31FN6O/c1-15(2)20-21(29-22-18(11-26)12-28-31(22)23(20)32)19-13-27-30(14-19)10-7-16(3)17-5-8-24(4,25)9-6-17/h12-17,28H,5-10H2,1-4H3
InChIKeyLUWIAJRRYIONPT-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.83
Rot. Bonds6

About 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 123710696) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID123710696
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(CCC(C)C3CCC(C)(F)CC3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C24H31FN6O/c1-15(2)20-21(29-22-18(11-26)12-28-31(22)23(20)32)19-13-27-30(14-19)10-7-16(3)17-5-8-24(4,25)9-6-17/h12-17,28H,5-10H2,1-4H3
InChIKeyLUWIAJRRYIONPT-UHFFFAOYSA-N
XLogP4.83
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 123710696) is 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(CCC(C)C3CCC(C)(F)CC3)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LUWIAJRRYIONPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-15(2)20-21(29-22-18(11-26)12-28-31(22)23(20)32)19-13-27-30(14-19)10-7-16(3)17-5-8-24(4,25)9-6-17/h12-17,28H,5-10H2,1-4H3.
What are the key properties of 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 438.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(4-fluoro-4-methylcyclohexyl)butyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 123710696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).