N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide

C14H15ClFN3O2 — CID 75394518

IUPACN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(O)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-2-19-8-10(6-18-19)14(21)17-7-13(20)9-3-4-11(15)12(16)5-9/h3-6,8,13,20H,2,7H2,1H3,(H,17,21)
InChIKeyBYVYWUHBGXRADG-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide

N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 75394518) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID75394518
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(O)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-2-19-8-10(6-18-19)14(21)17-7-13(20)9-3-4-11(15)12(16)5-9/h3-6,8,13,20H,2,7H2,1H3,(H,17,21)
InChIKeyBYVYWUHBGXRADG-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide (CID 75394518) is N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCC(O)c2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is BYVYWUHBGXRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-2-19-8-10(6-18-19)14(21)17-7-13(20)9-3-4-11(15)12(16)5-9/h3-6,8,13,20H,2,7H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 311.74 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 75394518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).