1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile

C16H24N4O — CID 70735455

IUPAC1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCCC(C#N)C1
InChIInChI=1S/C16H24N4O/c1-4-20-15(9-14(18-20)8-12(2)3)16(21)19-7-5-6-13(10-17)11-19/h9,12-13H,4-8,11H2,1-3H3
InChIKeyYUBXPALVUPCLHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile

1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile (PubChem CID 70735455) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile
PubChem CID70735455
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCCC(C#N)C1
InChIInChI=1S/C16H24N4O/c1-4-20-15(9-14(18-20)8-12(2)3)16(21)19-7-5-6-13(10-17)11-19/h9,12-13H,4-8,11H2,1-3H3
InChIKeyYUBXPALVUPCLHD-UHFFFAOYSA-N
XLogP2.48
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile (CID 70735455) is 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile is CCn1nc(CC(C)C)cc1C(=O)N1CCCC(C#N)C1.
What is the InChIKey of 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile?
The InChIKey is YUBXPALVUPCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-15(9-14(18-20)8-12(2)3)16(21)19-7-5-6-13(10-17)11-19/h9,12-13H,4-8,11H2,1-3H3.
What are the key properties of 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile?
1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carbonitrile is sourced from PubChem (CID 70735455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).