1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine

C13H17N7O — CID 168603952

IUPAC1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine
SMILESCn1nccc1COc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C13H17N7O/c1-20-10(6-7-17-20)8-21-11-4-2-9(3-5-11)18-13(16)19-12(14)15/h2-7H,8H2,1H3,(H6,14,15,16,18,19)
InChIKeyFFVOEXIWNVNMBX-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.22
Rot. Bonds4

About 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine (PubChem CID 168603952) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine
PubChem CID168603952
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine
SMILESCn1nccc1COc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C13H17N7O/c1-20-10(6-7-17-20)8-21-11-4-2-9(3-5-11)18-13(16)19-12(14)15/h2-7H,8H2,1H3,(H6,14,15,16,18,19)
InChIKeyFFVOEXIWNVNMBX-UHFFFAOYSA-N
XLogP0.22
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
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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Related Compounds

1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide
CID 172978269
2-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168608711
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796
3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 50896803
1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 166672194
2-[(2-methylpyrazol-3-yl)methoxy]ethanol
CID 164538456
ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
CID 163380072
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
1-(diaminomethylidene)-2-[4-(2-methylbutan-2-yl)phenyl]guanidine
CID 54118391

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine (CID 168603952) is 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine is Cn1nccc1COc1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine?
The InChIKey is FFVOEXIWNVNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-20-10(6-7-17-20)8-21-11-4-2-9(3-5-11)18-13(16)19-12(14)15/h2-7H,8H2,1H3,(H6,14,15,16,18,19).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine has a molecular weight of 287.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(2-methylpyrazol-3-yl)methoxy]phenyl]guanidine is sourced from PubChem (CID 168603952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).