6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

C14H15N5 — CID 95223920

IUPAC6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@@H](c3ccn[nH]3)C2)nc1
InChIInChI=1S/C14H15N5/c15-8-11-3-4-14(16-9-11)19-7-1-2-12(10-19)13-5-6-17-18-13/h3-6,9,12H,1-2,7,10H2,(H,17,18)/t12-/m1/s1
InChIKeyYZCUOKWXRJMMBL-GFCCVEGCSA-N
MW253.31 g/mol
LogP2.06
Rot. Bonds2

About 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile

6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95223920) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95223920
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@@H](c3ccn[nH]3)C2)nc1
InChIInChI=1S/C14H15N5/c15-8-11-3-4-14(16-9-11)19-7-1-2-12(10-19)13-5-6-17-18-13/h3-6,9,12H,1-2,7,10H2,(H,17,18)/t12-/m1/s1
InChIKeyYZCUOKWXRJMMBL-GFCCVEGCSA-N
XLogP2.06
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 95223920) is 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC[C@@H](c3ccn[nH]3)C2)nc1.
What is the InChIKey of 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YZCUOKWXRJMMBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N5/c15-8-11-3-4-14(16-9-11)19-7-1-2-12(10-19)13-5-6-17-18-13/h3-6,9,12H,1-2,7,10H2,(H,17,18)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95223920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).