N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H18ClN3O2 — CID 56965183

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CO)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-12-8-14(19(2)18-12)15(21)17-13(9-20)10-4-6-11(16)7-5-10/h4-8,13,20H,3,9H2,1-2H3,(H,17,21)
InChIKeyQWUOYXPNKLDFNN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.10
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 56965183) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID56965183
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CO)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-12-8-14(19(2)18-12)15(21)17-13(9-20)10-4-6-11(16)7-5-10/h4-8,13,20H,3,9H2,1-2H3,(H,17,21)
InChIKeyQWUOYXPNKLDFNN-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 56965183) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(CO)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is QWUOYXPNKLDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-12-8-14(19(2)18-12)15(21)17-13(9-20)10-4-6-11(16)7-5-10/h4-8,13,20H,3,9H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 56965183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).