3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide

C20H26FN3O — CID 95807138

IUPAC3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C20H26FN3O/c1-19(2,3)17-13-16(24(4)23-17)18(25)22-20(11-7-8-12-20)14-9-5-6-10-15(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,25)
InChIKeyQDUPMQIMXGDFLF-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.06
Rot. Bonds3

About 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide (PubChem CID 95807138) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
PubChem CID95807138
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C20H26FN3O/c1-19(2,3)17-13-16(24(4)23-17)18(25)22-20(11-7-8-12-20)14-9-5-6-10-15(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,25)
InChIKeyQDUPMQIMXGDFLF-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide (CID 95807138) is 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NC1(c2ccccc2F)CCCC1.
What is the InChIKey of 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QDUPMQIMXGDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-19(2,3)17-13-16(24(4)23-17)18(25)22-20(11-7-8-12-20)14-9-5-6-10-15(14)21/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,22,25).
What are the key properties of 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 95807138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).