2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine

C9H15N5 — CID 102805925

IUPAC2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
SMILESCc1nn(C)cc1N/C(N)=N/C1CC1
InChIInChI=1S/C9H15N5/c1-6-8(5-14(2)13-6)12-9(10)11-7-3-4-7/h5,7H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyZVKRSBWOCNWDMM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.62
Rot. Bonds2

About 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine

2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine (PubChem CID 102805925) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
PubChem CID102805925
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
SMILESCc1nn(C)cc1N/C(N)=N/C1CC1
InChIInChI=1S/C9H15N5/c1-6-8(5-14(2)13-6)12-9(10)11-7-3-4-7/h5,7H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyZVKRSBWOCNWDMM-UHFFFAOYSA-N
XLogP0.62
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine (CID 102805925) is 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine is Cc1nn(C)cc1N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine?
The InChIKey is ZVKRSBWOCNWDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-6-8(5-14(2)13-6)12-9(10)11-7-3-4-7/h5,7H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine?
2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine is sourced from PubChem (CID 102805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).