5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine

C13H23N3 — CID 115921343

IUPAC5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine
SMILESC=CCC(C)C(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C13H23N3/c1-6-8-9(3)11(5)14-13-10(4)12(7-2)15-16-13/h6,9,11H,1,7-8H2,2-5H3,(H2,14,15,16)
InChIKeySZKKHWLCBVYOJQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.29
Rot. Bonds6

About 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine (PubChem CID 115921343) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine
PubChem CID115921343
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine
SMILESC=CCC(C)C(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C13H23N3/c1-6-8-9(3)11(5)14-13-10(4)12(7-2)15-16-13/h6,9,11H,1,7-8H2,2-5H3,(H2,14,15,16)
InChIKeySZKKHWLCBVYOJQ-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-methyl-1H-pyrazol-3-amine
CID 54595033
3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308590
5-ethyl-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
CID 97797604
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70435083
N-methyl-4-[3-methylidene-4-(trifluoromethyl)hepta-4,6-dien-2-yl]-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123340515
N-methyl-4-(2-methyl-3-methylidenehex-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123530644
(3E,5E)-5-fluoro-2-(5-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)hepta-1,3,5-trien-4-amine
CID 137199184
3,6-Dimethyl-4,7-dihydro-2h-pyrazolo[3,4-b]pyridine
CID 175679326
N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754306
5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
CID 115921335
N-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 21786062
5-tert-butyl-N-ethyl-1H-pyrazol-3-amine
CID 20699952

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine (CID 115921343) is 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine is C=CCC(C)C(C)Nc1n[nH]c(CC)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine?
The InChIKey is SZKKHWLCBVYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-8-9(3)11(5)14-13-10(4)12(7-2)15-16-13/h6,9,11H,1,7-8H2,2-5H3,(H2,14,15,16).
What are the key properties of 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(3-methylhex-5-en-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115921343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).