1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile

C10H13FN4 — CID 163385657

IUPAC1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile
SMILESN#Cc1ccn(CC2(F)CCNCC2)n1
InChIInChI=1S/C10H13FN4/c11-10(2-4-13-5-3-10)8-15-6-1-9(7-12)14-15/h1,6,13H,2-5,8H2
InChIKeySPTSFEVKCRLKFN-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.85
Rot. Bonds2

About 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile

1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile (PubChem CID 163385657) 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-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile
PubChem CID163385657
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile
SMILESN#Cc1ccn(CC2(F)CCNCC2)n1
InChIInChI=1S/C10H13FN4/c11-10(2-4-13-5-3-10)8-15-6-1-9(7-12)14-15/h1,6,13H,2-5,8H2
InChIKeySPTSFEVKCRLKFN-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-3-carbonitrile?
The IUPAC name of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile (CID 163385657) is 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile?
The canonical SMILES for 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile is N#Cc1ccn(CC2(F)CCNCC2)n1.
What is the InChIKey of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile?
The InChIKey is SPTSFEVKCRLKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-10(2-4-13-5-3-10)8-15-6-1-9(7-12)14-15/h1,6,13H,2-5,8H2.
What are the key properties of 1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-carbonitrile?
1-[(4-fluoropiperidin-4-yl)methyl]pyrazole-3-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-3-carbonitrile is sourced from PubChem (CID 163385657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).