1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide

C15H20IN5 — CID 110026737

IUPAC1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C15H19N5.HI/c1-11-12(9-17-15(16)18-13-7-8-13)10-20(19-11)14-5-3-2-4-6-14;/h2-6,10,13H,7-9H2,1H3,(H3,16,17,18);1H
InChIKeyGCABGDWPPQFBCJ-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.37
Rot. Bonds4

About 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 110026737) has the molecular formula C15H20IN5 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID110026737
Molecular FormulaC15H20IN5
Molecular Weight397.26 g/mol
Exact Mass397.08
IUPAC Name1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1C/N=C(\N)NC1CC1.I
InChIInChI=1S/C15H19N5.HI/c1-11-12(9-17-15(16)18-13-7-8-13)10-20(19-11)14-5-3-2-4-6-14;/h2-6,10,13H,7-9H2,1H3,(H3,16,17,18);1H
InChIKeyGCABGDWPPQFBCJ-UHFFFAOYSA-N
XLogP2.37
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.37
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide (CID 110026737) is 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide is Cc1nn(-c2ccccc2)cc1C/N=C(\N)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is GCABGDWPPQFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.HI/c1-11-12(9-17-15(16)18-13-7-8-13)10-20(19-11)14-5-3-2-4-6-14;/h2-6,10,13H,7-9H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110026737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).