5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine

C16H27N3 — CID 79598946

IUPAC5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-14(7-6-11-17-2)13-15-10-12-19(18-15)16-8-4-3-5-9-16/h7,10,12,16-17H,3-6,8-9,11,13H2,1-2H3
InChIKeyBYMLHKDQZJTPDY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.49
Rot. Bonds6

About 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine

5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine (PubChem CID 79598946) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
PubChem CID79598946
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-14(7-6-11-17-2)13-15-10-12-19(18-15)16-8-4-3-5-9-16/h7,10,12,16-17H,3-6,8-9,11,13H2,1-2H3
InChIKeyBYMLHKDQZJTPDY-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599253
3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
CID 79590236
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine (CID 79598946) is 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine is CNCCC=C(C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine?
The InChIKey is BYMLHKDQZJTPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(7-6-11-17-2)13-15-10-12-19(18-15)16-8-4-3-5-9-16/h7,10,12,16-17H,3-6,8-9,11,13H2,1-2H3.
What are the key properties of 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine?
5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 79598946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).