4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide

C15H21N5 — CID 64773091

IUPAC4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C15H21N5/c1-11(2)20-9-8-13(18-20)10-19(3)14-6-4-12(5-7-14)15(16)17/h4-9,11H,10H2,1-3H3,(H3,16,17)
InChIKeyVILRPBNXEWXLPQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.38
Rot. Bonds5

About 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide

4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide (PubChem CID 64773091) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
PubChem CID64773091
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C15H21N5/c1-11(2)20-9-8-13(18-20)10-19(3)14-6-4-12(5-7-14)15(16)17/h4-9,11H,10H2,1-3H3,(H3,16,17)
InChIKeyVILRPBNXEWXLPQ-UHFFFAOYSA-N
XLogP2.38
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide (CID 64773091) is 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is VILRPBNXEWXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)20-9-8-13(18-20)10-19(3)14-6-4-12(5-7-14)15(16)17/h4-9,11H,10H2,1-3H3,(H3,16,17).
What are the key properties of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide?
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 271.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 64773091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).