1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine

C14H19N7 — CID 168604101

IUPAC1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine
SMILESCc1cc(C)n(Cc2cccc(/N=C(\N)N=C(N)N)c2)n1
InChIInChI=1S/C14H19N7/c1-9-6-10(2)21(20-9)8-11-4-3-5-12(7-11)18-14(17)19-13(15)16/h3-7H,8H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyYYSKTCLTLLDMAF-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.77
Rot. Bonds3

About 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine

1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine (PubChem CID 168604101) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine
PubChem CID168604101
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine
SMILESCc1cc(C)n(Cc2cccc(/N=C(\N)N=C(N)N)c2)n1
InChIInChI=1S/C14H19N7/c1-9-6-10(2)21(20-9)8-11-4-3-5-12(7-11)18-14(17)19-13(15)16/h3-7H,8H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyYYSKTCLTLLDMAF-UHFFFAOYSA-N
XLogP0.77
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
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 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine (CID 168604101) is 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine is Cc1cc(C)n(Cc2cccc(/N=C(\N)N=C(N)N)c2)n1.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine?
The InChIKey is YYSKTCLTLLDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-9-6-10(2)21(20-9)8-11-4-3-5-12(7-11)18-14(17)19-13(15)16/h3-7H,8H2,1-2H3,(H6,15,16,17,18,19).
What are the key properties of 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine?
1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine has a molecular weight of 285.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]guanidine is sourced from PubChem (CID 168604101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).