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

C11H11ClN4 — CID 62494449

IUPAC5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1-n1cc(C)cn1
InChIInChI=1S/C11H11ClN4/c1-7-5-15-16(6-7)10-3-2-8(12)4-9(10)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyNLMLUOGCTHLAKB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.12
Rot. Bonds2

About 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide

5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 62494449) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
PubChem CID62494449
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1-n1cc(C)cn1
InChIInChI=1S/C11H11ClN4/c1-7-5-15-16(6-7)10-3-2-8(12)4-9(10)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyNLMLUOGCTHLAKB-UHFFFAOYSA-N
XLogP2.12
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide (CID 62494449) is 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1-n1cc(C)cn1.
What is the InChIKey of 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is NLMLUOGCTHLAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-5-15-16(6-7)10-3-2-8(12)4-9(10)11(13)14/h2-6H,1H3,(H3,13,14).
What are the key properties of 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 234.69 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62494449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).