1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide

C13H19FN4O — CID 154989113

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide
SMILESNC/C(=C\F)Cn1cc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H19FN4O/c14-5-10(6-15)8-18-9-11(7-16-18)13(19)17-12-3-1-2-4-12/h5,7,9,12H,1-4,6,8,15H2,(H,17,19)/b10-5+
InChIKeyKNRIHRPAZBFMPN-BJMVGYQFSA-N
MW266.32 g/mol
LogP1.37
Rot. Bonds5

About 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide (PubChem CID 154989113) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide
PubChem CID154989113
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide
SMILESNC/C(=C\F)Cn1cc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H19FN4O/c14-5-10(6-15)8-18-9-11(7-16-18)13(19)17-12-3-1-2-4-12/h5,7,9,12H,1-4,6,8,15H2,(H,17,19)/b10-5+
InChIKeyKNRIHRPAZBFMPN-BJMVGYQFSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide (CID 154989113) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide is NC/C(=C\F)Cn1cc(C(=O)NC2CCCC2)cn1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide?
The InChIKey is KNRIHRPAZBFMPN-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-5-10(6-15)8-18-9-11(7-16-18)13(19)17-12-3-1-2-4-12/h5,7,9,12H,1-4,6,8,15H2,(H,17,19)/b10-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide is sourced from PubChem (CID 154989113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).