N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H29N7O — CID 66554580

IUPACN-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCC(N(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H29N7O/c1-17-5-9-20(10-6-17)32-23(15-22(29-32)18-7-11-19(12-8-18)30(2)3)28-25(33)21-16-27-31-14-4-13-26-24(21)31/h4-6,9-10,13-16,18-19H,7-8,11-12H2,1-3H3,(H,28,33)
InChIKeyPAOYTZBIWOLOCB-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.06
Rot. Bonds5

About N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554580) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554580
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC NameN-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCC(N(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H29N7O/c1-17-5-9-20(10-6-17)32-23(15-22(29-32)18-7-11-19(12-8-18)30(2)3)28-25(33)21-16-27-31-14-4-13-26-24(21)31/h4-6,9-10,13-16,18-19H,7-8,11-12H2,1-3H3,(H,28,33)
InChIKeyPAOYTZBIWOLOCB-UHFFFAOYSA-N
XLogP4.06
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-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

Eganelisib
CID 91933883
Selitrectinib
CID 129103609
Gsk-1070916
CID 46885626
PF-4181366
CID 135564899
Emzeltrectinib
CID 134480550
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554580) is N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCC(N(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PAOYTZBIWOLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17-5-9-20(10-6-17)32-23(15-22(29-32)18-7-11-19(12-8-18)30(2)3)28-25(33)21-16-27-31-14-4-13-26-24(21)31/h4-6,9-10,13-16,18-19H,7-8,11-12H2,1-3H3,(H,28,33).
What are the key properties of N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).