1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine

C11H17N3 — CID 167182922

IUPAC1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine
SMILESC/C=C(C)\C=C(\C)c1cnn(C)c1N
InChIInChI=1S/C11H17N3/c1-5-8(2)6-9(3)10-7-13-14(4)11(10)12/h5-7H,12H2,1-4H3/b8-5-,9-6-
InChIKeyAFNBWKKFORISSA-VVRUXRSYSA-N
MW191.28 g/mol
LogP2.37
Rot. Bonds2

About 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine

1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine (PubChem CID 167182922) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine
PubChem CID167182922
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine
SMILESC/C=C(C)\C=C(\C)c1cnn(C)c1N
InChIInChI=1S/C11H17N3/c1-5-8(2)6-9(3)10-7-13-14(4)11(10)12/h5-7H,12H2,1-4H3/b8-5-,9-6-
InChIKeyAFNBWKKFORISSA-VVRUXRSYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
4-Ethyl-1-methyl-1H-pyrazol-5-amine
CID 22456644
4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine
CID 58077624
4-(tert-butyl)-1-methyl-1H-pyrazol-5-amine
CID 68056404
4-Ethyl-1-methylpyrazol-3-amine
CID 84106867
(Z)-2-(1-methyl-3-nitrosopyrazol-4-yl)but-2-ene-1,4-diimine
CID 88992512
(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine
CID 89166861
(E)-4-(1-methylpyrazol-4-yl)pent-3-en-2-imine
CID 89534255
4-Cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
CID 90169153
N,1-dimethyl-4-prop-1-en-2-ylpyrazol-5-amine
CID 91044586
(2Z,4Z)-2-(1-methylpyrazol-4-yl)hexa-2,4-dien-1-imine
CID 122551014

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine (CID 167182922) is 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine is C/C=C(C)\C=C(\C)c1cnn(C)c1N.
What is the InChIKey of 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine?
The InChIKey is AFNBWKKFORISSA-VVRUXRSYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-8(2)6-9(3)10-7-13-14(4)11(10)12/h5-7H,12H2,1-4H3/b8-5-,9-6-.
What are the key properties of 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine?
1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine has a molecular weight of 191.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine is sourced from PubChem (CID 167182922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).