N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine

C12H19N3 — CID 91593618

IUPACN,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine
SMILESC=C(C=C(C)c1c(NC)n[nH]c1C)CC
InChIInChI=1S/C12H19N3/c1-6-8(2)7-9(3)11-10(4)14-15-12(11)13-5/h7H,2,6H2,1,3-5H3,(H2,13,14,15)
InChIKeyDTKOLGJGFOHZFA-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.13
Rot. Bonds4

About N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine

N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine (PubChem CID 91593618) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine
PubChem CID91593618
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine
SMILESC=C(C=C(C)c1c(NC)n[nH]c1C)CC
InChIInChI=1S/C12H19N3/c1-6-8(2)7-9(3)11-10(4)14-15-12(11)13-5/h7H,2,6H2,1,3-5H3,(H2,13,14,15)
InChIKeyDTKOLGJGFOHZFA-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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,1,3-trimethyl-4-prop-1-en-2-ylpyrazol-5-amine
CID 59715220
4-(2-aminoethyl)-N,5-dimethyl-1H-pyrazol-3-amine
CID 69718566
4-[(Z)-but-2-en-2-yl]-1,3-dimethylpyrazol-5-amine
CID 122537697
4-But-2-en-2-yl-1,3-dimethylpyrazol-5-amine
CID 122537698
5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine
CID 123747149
5-ethenyl-N-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 129060135
5-ethyl-N-methyl-4-[(E)-3-methylpent-2-enimidoyl]-1H-pyrazol-3-amine
CID 137156149
5-methyl-3-prop-1-en-2-yl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 137199179
4-ethenyl-N-ethynyl-5-methyl-1H-pyrazol-3-amine;methane
CID 143402563
5-[(1Z)-buta-1,3-dienyl]-N,4-diethyl-N-methyl-1H-pyrazol-3-amine;ethane
CID 143609990

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine (CID 91593618) is N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine is C=C(C=C(C)c1c(NC)n[nH]c1C)CC.
What is the InChIKey of N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine?
The InChIKey is DTKOLGJGFOHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-6-8(2)7-9(3)11-10(4)14-15-12(11)13-5/h7H,2,6H2,1,3-5H3,(H2,13,14,15).
What are the key properties of N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine?
N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine has a molecular weight of 205.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-(4-methylidenehex-2-en-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 91593618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).