1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile

C10H13FN4 — CID 163385588

IUPAC1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2(F)CCNCC2)c1
InChIInChI=1S/C10H13FN4/c11-10(1-3-13-4-2-10)8-15-7-9(5-12)6-14-15/h6-7,13H,1-4,8H2
InChIKeyLOXXZBSWKYZIMJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.85
Rot. Bonds2

About 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile

1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile (PubChem CID 163385588) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile
PubChem CID163385588
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2(F)CCNCC2)c1
InChIInChI=1S/C10H13FN4/c11-10(1-3-13-4-2-10)8-15-7-9(5-12)6-14-15/h6-7,13H,1-4,8H2
InChIKeyLOXXZBSWKYZIMJ-UHFFFAOYSA-N
XLogP0.85
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile (CID 163385588) is 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile is N#Cc1cnn(CC2(F)CCNCC2)c1.
What is the InChIKey of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile?
The InChIKey is LOXXZBSWKYZIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-10(1-3-13-4-2-10)8-15-7-9(5-12)6-14-15/h6-7,13H,1-4,8H2.
What are the key properties of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile?
1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile has a molecular weight of 208.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 163385588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).