N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine

C9H13N3 — CID 156718810

IUPACN-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine
SMILESC=Nc1cn[nH]c1C(=C)C(C)C
InChIInChI=1S/C9H13N3/c1-6(2)7(3)9-8(10-4)5-11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYMSTMBSNKTBIF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.41
Rot. Bonds3

About N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine

N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine (PubChem CID 156718810) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine.

Molecular Properties

Compound NameN-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine
PubChem CID156718810
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine
SMILESC=Nc1cn[nH]c1C(=C)C(C)C
InChIInChI=1S/C9H13N3/c1-6(2)7(3)9-8(10-4)5-11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYMSTMBSNKTBIF-UHFFFAOYSA-N
XLogP2.41
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(E)-2-fluoroprop-1-enyl]-1H-pyrazol-4-yl]methanimine
CID 130344287
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
CID 138671207
N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
CID 163908268
ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
CID 171807389
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide
CID 166739034
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole
CID 156744257
ethane;2-methyl-1-[4-[(Z)-prop-1-enyl]-1H-pyrazol-5-yl]propan-1-imine
CID 165132272
N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine
CID 166865325
5-methyl-4-prop-1-en-2-yl-1H-pyrazole
CID 70298570
4-(methylsulfonylmethyl)-1H-pyrazole-5-carboxamide
CID 175853989

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine?
The IUPAC name of N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine (CID 156718810) is N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine.
What is the SMILES notation for N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine?
The canonical SMILES for N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine is C=Nc1cn[nH]c1C(=C)C(C)C.
What is the InChIKey of N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine?
The InChIKey is HYMSTMBSNKTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)7(3)9-8(10-4)5-11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine?
N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine has a molecular weight of 163.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylbut-1-en-2-yl)-1H-pyrazol-4-yl]methanimine is sourced from PubChem (CID 156718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).