(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H36N4O2 — CID 136507268

IUPAC(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(NC(=O)c1cnn2c1N[C@@H](C1C=CC=CC1)CC2(C)C)c1ccc(CO)cc1
InChIInChI=1S/C27H36N4O2/c1-5-27(6-2,21-14-12-19(18-32)13-15-21)30-25(33)22-17-28-31-24(22)29-23(16-26(31,3)4)20-10-8-7-9-11-20/h7-10,12-15,17,20,23,29,32H,5-6,11,16,18H2,1-4H3,(H,30,33)/t20?,23-/m1/s1
InChIKeyCCULYFLGUJHGQK-GWQXNCQPSA-N
MW448.61 g/mol
LogP4.87
Rot. Bonds7

About (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136507268) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136507268
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(NC(=O)c1cnn2c1N[C@@H](C1C=CC=CC1)CC2(C)C)c1ccc(CO)cc1
InChIInChI=1S/C27H36N4O2/c1-5-27(6-2,21-14-12-19(18-32)13-15-21)30-25(33)22-17-28-31-24(22)29-23(16-26(31,3)4)20-10-8-7-9-11-20/h7-10,12-15,17,20,23,29,32H,5-6,11,16,18H2,1-4H3,(H,30,33)/t20?,23-/m1/s1
InChIKeyCCULYFLGUJHGQK-GWQXNCQPSA-N
XLogP4.87
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136507268) is (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(CC)(NC(=O)c1cnn2c1N[C@@H](C1C=CC=CC1)CC2(C)C)c1ccc(CO)cc1.
What is the InChIKey of (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CCULYFLGUJHGQK-GWQXNCQPSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-5-27(6-2,21-14-12-19(18-32)13-15-21)30-25(33)22-17-28-31-24(22)29-23(16-26(31,3)4)20-10-8-7-9-11-20/h7-10,12-15,17,20,23,29,32H,5-6,11,16,18H2,1-4H3,(H,30,33)/t20?,23-/m1/s1.
What are the key properties of (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexa-2,4-dien-1-yl-N-[3-[4-(hydroxymethyl)phenyl]pentan-3-yl]-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136507268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).