N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide

C16H19ClFN3O2 — CID 100651940

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H19ClFN3O2/c1-16(2,12-5-4-11(18)10-13(12)17)19-15(22)14-6-7-21(20-14)8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyLVXWBWGEUMIDPP-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 100651940) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID100651940
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C16H19ClFN3O2/c1-16(2,12-5-4-11(18)10-13(12)17)19-15(22)14-6-7-21(20-14)8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyLVXWBWGEUMIDPP-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide (CID 100651940) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide is COCCn1ccc(C(=O)NC(C)(C)c2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is LVXWBWGEUMIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-16(2,12-5-4-11(18)10-13(12)17)19-15(22)14-6-7-21(20-14)8-9-23-3/h4-7,10H,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 100651940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).