3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide

C24H32N6O — CID 127045967

IUPAC3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide
SMILESCC(C)CNC(=O)CC(C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1
InChIInChI=1S/C24H32N6O/c1-17(2)13-25-23(31)12-22(18-8-4-3-5-9-18)30-15-19(14-28-30)29-24-20-10-6-7-11-21(20)26-16-27-24/h6-7,10-11,14-18,22H,3-5,8-9,12-13H2,1-2H3,(H,25,31)(H,26,27,29)
InChIKeyVAXGOSASWRIFFT-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.85
Rot. Bonds8

About 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide

3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide (PubChem CID 127045967) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide
PubChem CID127045967
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide
SMILESCC(C)CNC(=O)CC(C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1
InChIInChI=1S/C24H32N6O/c1-17(2)13-25-23(31)12-22(18-8-4-3-5-9-18)30-15-19(14-28-30)29-24-20-10-6-7-11-21(20)26-16-27-24/h6-7,10-11,14-18,22H,3-5,8-9,12-13H2,1-2H3,(H,25,31)(H,26,27,29)
InChIKeyVAXGOSASWRIFFT-UHFFFAOYSA-N
XLogP4.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide 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 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide (CID 127045967) is 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide is CC(C)CNC(=O)CC(C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1.
What is the InChIKey of 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide?
The InChIKey is VAXGOSASWRIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17(2)13-25-23(31)12-22(18-8-4-3-5-9-18)30-15-19(14-28-30)29-24-20-10-6-7-11-21(20)26-16-27-24/h6-7,10-11,14-18,22H,3-5,8-9,12-13H2,1-2H3,(H,25,31)(H,26,27,29).
What are the key properties of 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide?
3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methylpropyl)-3-[4-(quinazolin-4-ylamino)pyrazol-1-yl]propanamide is sourced from PubChem (CID 127045967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).