3,5-dimethyl-1-pent-4-enylpyrazol-4-amine

C10H17N3 — CID 165471853

IUPAC3,5-dimethyl-1-pent-4-enylpyrazol-4-amine
SMILESC=CCCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H17N3/c1-4-5-6-7-13-9(3)10(11)8(2)12-13/h4H,1,5-7,11H2,2-3H3
InChIKeyAFIBHLSTMCOPKL-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.05
Rot. Bonds4

About 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine

3,5-dimethyl-1-pent-4-enylpyrazol-4-amine (PubChem CID 165471853) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-pent-4-enylpyrazol-4-amine
PubChem CID165471853
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3,5-dimethyl-1-pent-4-enylpyrazol-4-amine
SMILESC=CCCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H17N3/c1-4-5-6-7-13-9(3)10(11)8(2)12-13/h4H,1,5-7,11H2,2-3H3
InChIKeyAFIBHLSTMCOPKL-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.05
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

1,3,5-trimethyl-1H-pyrazol-4-amine
CID 161603
1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1H-Pyrazole, 4-(dimethylamino)-1,3,5-trimethyl-
CID 206692
3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 28412447
1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 28412411

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine (CID 165471853) is 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine is C=CCCCn1nc(C)c(N)c1C.
What is the InChIKey of 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine?
The InChIKey is AFIBHLSTMCOPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-6-7-13-9(3)10(11)8(2)12-13/h4H,1,5-7,11H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine?
3,5-dimethyl-1-pent-4-enylpyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pent-4-enylpyrazol-4-amine is sourced from PubChem (CID 165471853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).