4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide

C14H16N4 — CID 62488655

IUPAC4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccc(C3CC3)n2)c(C)c1
InChIInChI=1S/C14H16N4/c1-9-8-11(14(15)16)4-5-13(9)18-7-6-12(17-18)10-2-3-10/h4-8,10H,2-3H2,1H3,(H3,15,16)
InChIKeyIVVAIVCIXWHREN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.34
Rot. Bonds3

About 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide

4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide (PubChem CID 62488655) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
PubChem CID62488655
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccc(C3CC3)n2)c(C)c1
InChIInChI=1S/C14H16N4/c1-9-8-11(14(15)16)4-5-13(9)18-7-6-12(17-18)10-2-3-10/h4-8,10H,2-3H2,1H3,(H3,15,16)
InChIKeyIVVAIVCIXWHREN-UHFFFAOYSA-N
XLogP2.34
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.34
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'}

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Related Compounds

[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methanol
CID 62488140
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
CID 54933167
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
CID 62123919
1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanone
CID 62488981
4-amino-3-(3-cyclopropylpyrazol-1-yl)benzoic acid
CID 82795830
5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66011902
3-(3-cyclopropylpyrazol-1-yl)-4-methylbenzaldehyde
CID 105405294
N'-hydroxy-3-methyl-4-(3-methylpyrazol-1-yl)benzenecarboximidamide
CID 76944627
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 62488135
3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 63087893
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide (CID 62488655) is 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2ccc(C3CC3)n2)c(C)c1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide?
The InChIKey is IVVAIVCIXWHREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-8-11(14(15)16)4-5-13(9)18-7-6-12(17-18)10-2-3-10/h4-8,10H,2-3H2,1H3,(H3,15,16).
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide?
4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 62488655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).