1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

C9H17N5 — CID 130987883

IUPAC1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCc1ccnn1C
InChIInChI=1S/C9H17N5/c1-10-9(11-2)12-6-4-8-5-7-13-14(8)3/h5,7H,4,6H2,1-3H3,(H2,10,11,12)
InChIKeyMQVUGTIQCBAPJM-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.24
Rot. Bonds3

About 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine

1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (PubChem CID 130987883) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
PubChem CID130987883
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCc1ccnn1C
InChIInChI=1S/C9H17N5/c1-10-9(11-2)12-6-4-8-5-7-13-14(8)3/h5,7H,4,6H2,1-3H3,(H2,10,11,12)
InChIKeyMQVUGTIQCBAPJM-UHFFFAOYSA-N
XLogP-0.24
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.24
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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Related Compounds

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 111226466
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111129525
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
1,2-dimethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 110914587
1-(2-cyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111604969
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 110052184
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956312
1-(2-imidazol-1-ylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953407

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine (CID 130987883) is 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is C/N=C(\NC)NCCc1ccnn1C.
What is the InChIKey of 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
The InChIKey is MQVUGTIQCBAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-10-9(11-2)12-6-4-8-5-7-13-14(8)3/h5,7H,4,6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine?
1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine has a molecular weight of 195.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 130987883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).