1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile

C10H12N4O — CID 118526750

IUPAC1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCCCC2)c1
InChIInChI=1S/C10H12N4O/c11-6-9-7-12-14(8-9)10(15)13-4-2-1-3-5-13/h7-8H,1-5H2
InChIKeyRPILUPLZIDIEEV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.21
Rot. Bonds

About 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile

1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile (PubChem CID 118526750) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile
PubChem CID118526750
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCCCC2)c1
InChIInChI=1S/C10H12N4O/c11-6-9-7-12-14(8-9)10(15)13-4-2-1-3-5-13/h7-8H,1-5H2
InChIKeyRPILUPLZIDIEEV-UHFFFAOYSA-N
XLogP1.21
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile (CID 118526750) is 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is RPILUPLZIDIEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-9-7-12-14(8-9)10(15)13-4-2-1-3-5-13/h7-8H,1-5H2.
What are the key properties of 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile?
1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 118526750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).