(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H27ClN4O3 — CID 136791566

IUPAC(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(C2=C[C@H](c3cccc(OC)c3OC)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1
InChIInChI=1S/C29H27ClN4O3/c1-4-18-8-10-19(11-9-18)24-16-25(22-6-5-7-26(36-2)27(22)37-3)34-28(33-24)23(17-31-34)29(35)32-21-14-12-20(30)13-15-21/h5-17,25,33H,4H2,1-3H3,(H,32,35)/t25-/m1/s1
InChIKeyZPALCQUWNPGUOQ-RUZDIDTESA-N
MW515.01 g/mol
LogP6.42
Rot. Bonds7

About (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136791566) has the molecular formula C29H27ClN4O3 and a molecular weight of 515.01 g/mol. Its IUPAC name is (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136791566
Molecular FormulaC29H27ClN4O3
Molecular Weight515.01 g/mol
Exact Mass514.18
IUPAC Name(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(C2=C[C@H](c3cccc(OC)c3OC)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1
InChIInChI=1S/C29H27ClN4O3/c1-4-18-8-10-19(11-9-18)24-16-25(22-6-5-7-26(36-2)27(22)37-3)34-28(33-24)23(17-31-34)29(35)32-21-14-12-20(30)13-15-21/h5-17,25,33H,4H2,1-3H3,(H,32,35)/t25-/m1/s1
InChIKeyZPALCQUWNPGUOQ-RUZDIDTESA-N
XLogP6.42
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.01
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136915831
(7R)-5-(4-chlorophenyl)-N-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680197
(7S)-N-(4-chlorophenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791571
(7R)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791592
5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548709
N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548746
7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551174
(7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136887876
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551178
(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136888073
3-[(4-chlorophenyl)carbamoyl]-7-(2-ethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135656765

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136791566) is (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(C2=C[C@H](c3cccc(OC)c3OC)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1.
What is the InChIKey of (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZPALCQUWNPGUOQ-RUZDIDTESA-N. The full InChI is InChI=1S/C29H27ClN4O3/c1-4-18-8-10-19(11-9-18)24-16-25(22-6-5-7-26(36-2)27(22)37-3)34-28(33-24)23(17-31-34)29(35)32-21-14-12-20(30)13-15-21/h5-17,25,33H,4H2,1-3H3,(H,32,35)/t25-/m1/s1.
What are the key properties of (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 515.01 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).