N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide

C15H18ClN3O2 — CID 110931263

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9H2,1-2H3,(H,17,21)
InChIKeyRDYXDFIDZLVDPD-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 110931263) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID110931263
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9H2,1-2H3,(H,17,21)
InChIKeyRDYXDFIDZLVDPD-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66127388
2-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 111566211
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 110885459
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 110931263) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is RDYXDFIDZLVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110931263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).