(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide

C24H23ClN4O3 — CID 134150489

IUPAC(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Cl)cc3)[C@](CCO)(c3cccnc3)C2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-32-21-10-4-17(5-11-21)22-15-24(12-14-30,18-3-2-13-26-16-18)29(28-22)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m0/s1
InChIKeyJFFRVODNJCCGPV-DEOSSOPVSA-N
MW450.93 g/mol
LogP4.66
Rot. Bonds6

About (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide

(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide (PubChem CID 134150489) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide
PubChem CID134150489
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)Nc3ccc(Cl)cc3)[C@](CCO)(c3cccnc3)C2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-32-21-10-4-17(5-11-21)22-15-24(12-14-30,18-3-2-13-26-16-18)29(28-22)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m0/s1
InChIKeyJFFRVODNJCCGPV-DEOSSOPVSA-N
XLogP4.66
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The IUPAC name of (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide (CID 134150489) is (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The canonical SMILES for (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide is COc1ccc(C2=NN(C(=O)Nc3ccc(Cl)cc3)[C@](CCO)(c3cccnc3)C2)cc1.
What is the InChIKey of (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The InChIKey is JFFRVODNJCCGPV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-32-21-10-4-17(5-11-21)22-15-24(12-14-30,18-3-2-13-26-16-18)29(28-22)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m0/s1.
What are the key properties of (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide?
(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134150489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).