N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

C19H24ClN3O4 — CID 164641744

IUPACN-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc(C)nn1C1CCOCC1
InChIInChI=1S/C19H24ClN3O4/c1-12-9-16(23(22-12)14-5-7-27-8-6-14)19(25)21-11-17(24)15-10-13(20)3-4-18(15)26-2/h3-4,9-10,14,17,24H,5-8,11H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyHGOFEEDIWPYNPS-KRWDZBQOSA-N
MW393.87 g/mol
LogP2.67
Rot. Bonds6

About N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 164641744) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID164641744
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc(C)nn1C1CCOCC1
InChIInChI=1S/C19H24ClN3O4/c1-12-9-16(23(22-12)14-5-7-27-8-6-14)19(25)21-11-17(24)15-10-13(20)3-4-18(15)26-2/h3-4,9-10,14,17,24H,5-8,11H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyHGOFEEDIWPYNPS-KRWDZBQOSA-N
XLogP2.67
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (CID 164641744) is N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc(C)nn1C1CCOCC1.
What is the InChIKey of N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is HGOFEEDIWPYNPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-12-9-16(23(22-12)14-5-7-27-8-6-14)19(25)21-11-17(24)15-10-13(20)3-4-18(15)26-2/h3-4,9-10,14,17,24H,5-8,11H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 164641744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).