5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H32Cl2N4O — CID 135843718

IUPAC5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)C(=O)C1=C(C2CCCCC2)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H32Cl2N4O/c1-3-14-30(15-4-2)25(32)22-23(17-8-6-5-7-9-17)29-21-12-13-28-31(21)24(22)18-10-11-19(26)20(27)16-18/h10-13,16-17,24,29H,3-9,14-15H2,1-2H3
InChIKeyCTWPFEJOQBEEPR-UHFFFAOYSA-N
MW475.46 g/mol
LogP6.69
Rot. Bonds7

About 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843718) has the molecular formula C25H32Cl2N4O and a molecular weight of 475.46 g/mol. Its IUPAC name is 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843718
Molecular FormulaC25H32Cl2N4O
Molecular Weight475.46 g/mol
Exact Mass474.20
IUPAC Name5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)C(=O)C1=C(C2CCCCC2)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H32Cl2N4O/c1-3-14-30(15-4-2)25(32)22-23(17-8-6-5-7-9-17)29-21-12-13-28-31(21)24(22)18-10-11-19(26)20(27)16-18/h10-13,16-17,24,29H,3-9,14-15H2,1-2H3
InChIKeyCTWPFEJOQBEEPR-UHFFFAOYSA-N
XLogP6.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Bms-394136
CID 135446049
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135450069
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450097
[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
[7-(3,5-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450099
9-(3-Chloro-4-fluorophenyl)-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8(4H)-one
CID 135484424
9-(3,4-Dichlorophenyl)-5,6,7,9-tetrahydropyrazolo[5.1-b]quinazolin-8(4H)-one
CID 135494158

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843718) is 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCN(CCC)C(=O)C1=C(C2CCCCC2)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CTWPFEJOQBEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O/c1-3-14-30(15-4-2)25(32)22-23(17-8-6-5-7-9-17)29-21-12-13-28-31(21)24(22)18-10-11-19(26)20(27)16-18/h10-13,16-17,24,29H,3-9,14-15H2,1-2H3.
What are the key properties of 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).