N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

C18H20FN3O2 — CID 128995788

IUPACN-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2c2cccc(F)c2)c(C2CCOC2)n1
InChIInChI=1S/C18H20FN3O2/c1-22-9-15(17(21-22)12-5-6-24-10-12)18(23)20-16-8-14(16)11-3-2-4-13(19)7-11/h2-4,7,9,12,14,16H,5-6,8,10H2,1H3,(H,20,23)
InChIKeySECZISLTUFKMFR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128995788) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128995788
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2c2cccc(F)c2)c(C2CCOC2)n1
InChIInChI=1S/C18H20FN3O2/c1-22-9-15(17(21-22)12-5-6-24-10-12)18(23)20-16-8-14(16)11-3-2-4-13(19)7-11/h2-4,7,9,12,14,16H,5-6,8,10H2,1H3,(H,20,23)
InChIKeySECZISLTUFKMFR-UHFFFAOYSA-N
XLogP2.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128995788) is N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC2c2cccc(F)c2)c(C2CCOC2)n1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is SECZISLTUFKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-22-9-15(17(21-22)12-5-6-24-10-12)18(23)20-16-8-14(16)11-3-2-4-13(19)7-11/h2-4,7,9,12,14,16H,5-6,8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).