3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide

C13H16N4 — CID 121211345

IUPAC3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C13H16N4/c1-9(2)17-12(13(14)15)8-11(16-17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,14,15)
InChIKeyPSRBUAANAZOHNR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.42
Rot. Bonds3

About 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide

3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide (PubChem CID 121211345) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
PubChem CID121211345
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C13H16N4/c1-9(2)17-12(13(14)15)8-11(16-17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,14,15)
InChIKeyPSRBUAANAZOHNR-UHFFFAOYSA-N
XLogP2.42
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide
CID 121211348
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
CID 134910036
1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210919
1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210914
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
3-phenyl-1-propan-2-ylpyrazole-5-carbonitrile
CID 121211337
3-phenyl-1H-pyrazole-5-carboximidamide
CID 137027831
ethane;4-phenylbenzenecarboximidamide
CID 91221015
1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
3-(3,4-dichlorophenyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 83559430

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide?
The IUPAC name of 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide (CID 121211345) is 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide.
What is the SMILES notation for 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide?
The canonical SMILES for 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide?
The InChIKey is PSRBUAANAZOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9(2)17-12(13(14)15)8-11(16-17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,14,15).
What are the key properties of 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide?
3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide has a molecular weight of 228.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121211345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).