[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone

C11H17FN4O — CID 132586598

IUPAC[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESNc1cn(CCF)nc1C(=O)N1CCCCC1
InChIInChI=1S/C11H17FN4O/c12-4-7-16-8-9(13)10(14-16)11(17)15-5-2-1-3-6-15/h8H,1-7,13H2
InChIKeyMPJUWXHPLKATME-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds3

About [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone

[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 132586598) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID132586598
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESNc1cn(CCF)nc1C(=O)N1CCCCC1
InChIInChI=1S/C11H17FN4O/c12-4-7-16-8-9(13)10(14-16)11(17)15-5-2-1-3-6-15/h8H,1-7,13H2
InChIKeyMPJUWXHPLKATME-UHFFFAOYSA-N
XLogP1.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 132586535
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 65359172
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470
4-amino-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylic acid
CID 107344226
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 65358271
1-(4-amino-1-ethylpyrazole-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65358193
(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 65357787
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 65357767
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
CID 132586605
(4-amino-1-ethylpyrazol-3-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390347

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone (CID 132586598) is [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone is Nc1cn(CCF)nc1C(=O)N1CCCCC1.
What is the InChIKey of [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is MPJUWXHPLKATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-4-7-16-8-9(13)10(14-16)11(17)15-5-2-1-3-6-15/h8H,1-7,13H2.
What are the key properties of [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 240.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 132586598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).