3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide

C15H17FN4O — CID 119859342

IUPAC3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-n3cccn3)c(F)c2)C1
InChIInChI=1S/C15H17FN4O/c16-13-9-12(4-5-14(13)20-7-1-6-18-20)19-15(21)10-2-3-11(17)8-10/h1,4-7,9-11H,2-3,8,17H2,(H,19,21)
InChIKeyFMLQPIKDXHCSLZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide

3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 119859342) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
PubChem CID119859342
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-n3cccn3)c(F)c2)C1
InChIInChI=1S/C15H17FN4O/c16-13-9-12(4-5-14(13)20-7-1-6-18-20)19-15(21)10-2-3-11(17)8-10/h1,4-7,9-11H,2-3,8,17H2,(H,19,21)
InChIKeyFMLQPIKDXHCSLZ-UHFFFAOYSA-N
XLogP2.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide (CID 119859342) is 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(-n3cccn3)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is FMLQPIKDXHCSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-9-12(4-5-14(13)20-7-1-6-18-20)19-15(21)10-2-3-11(17)8-10/h1,4-7,9-11H,2-3,8,17H2,(H,19,21).
What are the key properties of 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119859342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).