2-(4-methylpyrazol-1-yl)benzenecarboximidamide

C11H12N4 — CID 60873112

IUPAC2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-n1cc(C)cn1
InChIInChI=1S/C11H12N4/c1-8-6-14-15(7-8)10-5-3-2-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13)
InChIKeyXNMQPAGGHDHLBL-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)benzenecarboximidamide

2-(4-methylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 60873112) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)benzenecarboximidamide
PubChem CID60873112
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-n1cc(C)cn1
InChIInChI=1S/C11H12N4/c1-8-6-14-15(7-8)10-5-3-2-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13)
InChIKeyXNMQPAGGHDHLBL-UHFFFAOYSA-N
XLogP1.46
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.46
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

5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 62494449
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141
3-(4-methylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513615
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
5-bromo-2-(4-phenylpyrazol-1-yl)benzenecarboximidamide
CID 114893168
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
CID 81303223
1-phenylpyrazole-4-carboximidamide
CID 43140235
2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
CID 60872533
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)benzenecarboximidamide (CID 60873112) is 2-(4-methylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-n1cc(C)cn1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is XNMQPAGGHDHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-6-14-15(7-8)10-5-3-2-4-9(10)11(12)13/h2-7H,1H3,(H3,12,13).
What are the key properties of 2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
2-(4-methylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 200.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 60873112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).