2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine

C10H19N5 — CID 167965198

IUPAC2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
SMILESCc1nn(C)c(C)c1CCCN=C(N)N
InChIInChI=1S/C10H19N5/c1-7-9(8(2)15(3)14-7)5-4-6-13-10(11)12/h4-6H2,1-3H3,(H4,11,12,13)
InChIKeyWUVVOBJUFRXUAU-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.24
Rot. Bonds4

About 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine

2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine (PubChem CID 167965198) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
PubChem CID167965198
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
SMILESCc1nn(C)c(C)c1CCCN=C(N)N
InChIInChI=1S/C10H19N5/c1-7-9(8(2)15(3)14-7)5-4-6-13-10(11)12/h4-6H2,1-3H3,(H4,11,12,13)
InChIKeyWUVVOBJUFRXUAU-UHFFFAOYSA-N
XLogP0.24
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 110031890
2-butyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068793
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
2-butyl-1-ethyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111150920
4-(2-azidoethyl)-1,3,5-trimethylpyrazole
CID 23005972
2-(2-methoxyethyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110914357
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1-ethyl-2-hexyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111161437
2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068805
1-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 110050972

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine (CID 167965198) is 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine is Cc1nn(C)c(C)c1CCCN=C(N)N.
What is the InChIKey of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
The InChIKey is WUVVOBJUFRXUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7-9(8(2)15(3)14-7)5-4-6-13-10(11)12/h4-6H2,1-3H3,(H4,11,12,13).
What are the key properties of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine?
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine has a molecular weight of 209.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 167965198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).