5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile

C18H26N4O — CID 57044560

IUPAC5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1ncc(C#N)c1N=C1CCC(CCC)C(=O)C1
InChIInChI=1S/C18H26N4O/c1-3-5-6-10-22-18(15(12-19)13-20-22)21-16-9-8-14(7-4-2)17(23)11-16/h13-14H,3-11H2,1-2H3
InChIKeyUVVPYLVQFNAXCP-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.19
Rot. Bonds7

About 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile

5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile (PubChem CID 57044560) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
PubChem CID57044560
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1ncc(C#N)c1N=C1CCC(CCC)C(=O)C1
InChIInChI=1S/C18H26N4O/c1-3-5-6-10-22-18(15(12-19)13-20-22)21-16-9-8-14(7-4-2)17(23)11-16/h13-14H,3-11H2,1-2H3
InChIKeyUVVPYLVQFNAXCP-UHFFFAOYSA-N
XLogP4.19
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
CID 57106192
5-[[4-(3-methylbut-2-enyl)-3-oxocyclohexylidene]amino]-1-pentylpyrazole-4-carbonitrile
CID 57298584
5-[(3-butyl-5-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
CID 57000335
8-amino-4-pentyl-11-propyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
CID 10086185
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate
CID 146551253
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carbonitrile
CID 82205794
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile
CID 79504435
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-decylcyclopentan-1-one
CID 12823821

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile (CID 57044560) is 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile is CCCCCn1ncc(C#N)c1N=C1CCC(CCC)C(=O)C1.
What is the InChIKey of 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The InChIKey is UVVPYLVQFNAXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-5-6-10-22-18(15(12-19)13-20-22)21-16-9-8-14(7-4-2)17(23)11-16/h13-14H,3-11H2,1-2H3.
What are the key properties of 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile is sourced from PubChem (CID 57044560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).