4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine

C11H17N3 — CID 13352193

IUPAC4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1C1=CCCCC1
InChIInChI=1S/C11H17N3/c1-8-10(11(12)14(2)13-8)9-6-4-3-5-7-9/h6H,3-5,7,12H2,1-2H3
InChIKeyHVJDFZVZLQKEQT-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.27
Rot. Bonds1

About 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine

4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine (PubChem CID 13352193) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine
PubChem CID13352193
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1C1=CCCCC1
InChIInChI=1S/C11H17N3/c1-8-10(11(12)14(2)13-8)9-6-4-3-5-7-9/h6H,3-5,7,12H2,1-2H3
InChIKeyHVJDFZVZLQKEQT-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
1-Cyclohexyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 599772
Pyrazole, 5-amino-3-methyl-1-phenethyl-
CID 3040480
3-cyclohexyl-1-methyl-1H-pyrazol-5-amine
CID 13324829
3-(3,5-Difluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 43158892
1-methyl-5-phenyl-1H-pyrazol-3-amine
CID 5324081

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine (CID 13352193) is 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is HVJDFZVZLQKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-10(11(12)14(2)13-8)9-6-4-3-5-7-9/h6H,3-5,7,12H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine?
4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 191.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 13352193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).