[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C12H19FN4O — CID 146680633

IUPAC[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C12H19FN4O/c1-9-4-2-3-6-17(9)12(18)10-8-16(7-5-13)15-11(10)14/h8-9H,2-7H2,1H3,(H2,14,15)
InChIKeyOWONSBFGSHFBLB-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.45
Rot. Bonds3

About [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 146680633) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID146680633
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C12H19FN4O/c1-9-4-2-3-6-17(9)12(18)10-8-16(7-5-13)15-11(10)14/h8-9H,2-7H2,1H3,(H2,14,15)
InChIKeyOWONSBFGSHFBLB-UHFFFAOYSA-N
XLogP1.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 146680677
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 146680633) is [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cn(CCF)nc1N.
What is the InChIKey of [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is OWONSBFGSHFBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-9-4-2-3-6-17(9)12(18)10-8-16(7-5-13)15-11(10)14/h8-9H,2-7H2,1H3,(H2,14,15).
What are the key properties of [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2-fluoroethyl)pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 146680633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).