5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole

C13H20N2 — CID 118098362

IUPAC5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
SMILESC=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12/h6-10H,5H2,1-4H3,(H,14,15)/b13-8-
InChIKeyKVXIGKFVDZSOFL-JYRVWZFOSA-N
MW204.32 g/mol
LogP3.66
Rot. Bonds4

About 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole

5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole (PubChem CID 118098362) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
PubChem CID118098362
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
SMILESC=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12/h6-10H,5H2,1-4H3,(H,14,15)/b13-8-
InChIKeyKVXIGKFVDZSOFL-JYRVWZFOSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-propa-1,2-dienyl-1H-pyrazole
CID 176540034
N-(1H-pyrazol-5-ylmethylidene)hydroxylamine
CID 2782173
(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine
CID 135604587
(E)-2-cyano-3-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 131310998
N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine
CID 115691267
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
5-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-1H-pyrazole
CID 143483242
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
CID 21114808
5-(1-methylsulfanylethyl)-1H-pyrazole
CID 123304463
5-[(3Z,5E)-5-(4-methyl-3-propylhexoxy)hepta-1,3,5-trien-2-yl]-1H-pyrazole
CID 145353744
2-methylprop-2-enoic acid;5-methyl-1H-pyrazole
CID 175313871

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole?
The IUPAC name of 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole (CID 118098362) is 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole.
What is the SMILES notation for 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole?
The canonical SMILES for 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole is C=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C.
What is the InChIKey of 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole?
The InChIKey is KVXIGKFVDZSOFL-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12/h6-10H,5H2,1-4H3,(H,14,15)/b13-8-.
What are the key properties of 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole?
5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole has a molecular weight of 204.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole is sourced from PubChem (CID 118098362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).