methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium

C9H14N3+ — CID 123968023

IUPACmethyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium
SMILESC=[N+](C)C=c1[nH]ncc1=C(C)C
InChIInChI=1S/C9H14N3/c1-7(2)8-5-10-11-9(8)6-12(3)4/h5-6,11H,3H2,1-2,4H3/q+1
InChIKeyNRVZGBDBTBMEEY-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.32
Rot. Bonds1

About methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium

methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium (PubChem CID 123968023) has the molecular formula C9H14N3+ and a molecular weight of 164.23 g/mol. Its IUPAC name is methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium
PubChem CID123968023
Molecular FormulaC9H14N3+
Molecular Weight164.23 g/mol
Exact Mass164.12
IUPAC Namemethyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium
SMILESC=[N+](C)C=c1[nH]ncc1=C(C)C
InChIInChI=1S/C9H14N3/c1-7(2)8-5-10-11-9(8)6-12(3)4/h5-6,11H,3H2,1-2,4H3/q+1
InChIKeyNRVZGBDBTBMEEY-UHFFFAOYSA-N
XLogP-0.32
TPSA31.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium?
The IUPAC name of methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium (CID 123968023) is methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium.
What is the SMILES notation for methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium?
The canonical SMILES for methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium is C=[N+](C)C=c1[nH]ncc1=C(C)C.
What is the InChIKey of methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium?
The InChIKey is NRVZGBDBTBMEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3/c1-7(2)8-5-10-11-9(8)6-12(3)4/h5-6,11H,3H2,1-2,4H3/q+1.
What are the key properties of methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium?
methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium has a molecular weight of 164.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(4-propan-2-ylidene-1H-pyrazol-5-ylidene)methyl]azanium is sourced from PubChem (CID 123968023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).