N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine

C13H21N3 — CID 115756665

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC1CC=CCC1
InChIInChI=1S/C13H21N3/c1-2-10-16-13(8-9-15-16)14-11-12-6-4-3-5-7-12/h3-4,8-9,12,14H,2,5-7,10-11H2,1H3
InChIKeyOXICYBOKUISVKW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine

N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine (PubChem CID 115756665) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine
PubChem CID115756665
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC1CC=CCC1
InChIInChI=1S/C13H21N3/c1-2-10-16-13(8-9-15-16)14-11-12-6-4-3-5-7-12/h3-4,8-9,12,14H,2,5-7,10-11H2,1H3
InChIKeyOXICYBOKUISVKW-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine
CID 115685569
N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine
CID 75496238
(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 38995892
N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
CID 93112105
2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868560
1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 55153468
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
CID 97436202
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 126433094
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
CID 107597677
5-(cyclohex-3-en-1-ylmethylamino)-1-methylpyridin-2-one
CID 60930916
N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine (CID 115756665) is N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine is CCCn1nccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine?
The InChIKey is OXICYBOKUISVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-10-16-13(8-9-15-16)14-11-12-6-4-3-5-7-12/h3-4,8-9,12,14H,2,5-7,10-11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine is sourced from PubChem (CID 115756665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).