4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide

C18H23FN4O2 — CID 136526815

IUPAC4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1
InChIInChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyPWHQSNJMBZZAQU-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.08
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide

4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide (PubChem CID 136526815) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
PubChem CID136526815
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1
InChIInChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyPWHQSNJMBZZAQU-UHFFFAOYSA-N
XLogP3.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide (CID 136526815) is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide is COCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The InChIKey is PWHQSNJMBZZAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136526815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).