3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine

C18H28N4O — CID 160865702

IUPAC3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine
SMILESN#CCC(=O)C1CCCCC1.Nc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C9H15N3.C9H13NO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;10-7-6-9(11)8-4-2-1-3-5-8/h6-7H,1-5H2,(H3,10,11,12);8H,1-6H2
InChIKeySLBZJVYCWJDPKE-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.09
Rot. Bonds3

About 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine

3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine (PubChem CID 160865702) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine
PubChem CID160865702
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine
SMILESN#CCC(=O)C1CCCCC1.Nc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C9H15N3.C9H13NO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;10-7-6-9(11)8-4-2-1-3-5-8/h6-7H,1-5H2,(H3,10,11,12);8H,1-6H2
InChIKeySLBZJVYCWJDPKE-UHFFFAOYSA-N
XLogP4.09
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclooctyl-3-oxopropanenitrile
CID 15933104
3-cyclodecyl-3-oxopropanenitrile
CID 138502236
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CID 158637216
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
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CID 119329584
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
CID 54853416
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 119329603
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
4-cycloheptyl-4-oxobutanenitrile
CID 12585766

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine?
The IUPAC name of 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine (CID 160865702) is 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine.
What is the SMILES notation for 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine?
The canonical SMILES for 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine is N#CCC(=O)C1CCCCC1.Nc1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine?
The InChIKey is SLBZJVYCWJDPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C9H13NO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7;10-7-6-9(11)8-4-2-1-3-5-8/h6-7H,1-5H2,(H3,10,11,12);8H,1-6H2.
What are the key properties of 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine?
3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine has a molecular weight of 316.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-oxopropanenitrile;5-cyclohexyl-1H-pyrazol-3-amine is sourced from PubChem (CID 160865702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).