1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C12H23N5 — CID 111070558

IUPAC1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCC(CN=C(N(C)C)N(C)C)Cn1cccn1
InChIInChI=1S/C12H23N5/c1-11(10-17-8-6-7-14-17)9-13-12(15(2)3)16(4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyBMHLELQQLDQHLI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.00
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111070558) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111070558
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCC(CN=C(N(C)C)N(C)C)Cn1cccn1
InChIInChI=1S/C12H23N5/c1-11(10-17-8-6-7-14-17)9-13-12(15(2)3)16(4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyBMHLELQQLDQHLI-UHFFFAOYSA-N
XLogP1.00
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
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-butyl-3-ethyl-1-methyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111159527
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
CID 111226135
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126008
1-tert-butyl-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110967020
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111070597
N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111129674
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
3-ethyl-1-methyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-1-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111299030
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111281515
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111070558) is 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is CC(CN=C(N(C)C)N(C)C)Cn1cccn1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is BMHLELQQLDQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-11(10-17-8-6-7-14-17)9-13-12(15(2)3)16(4)5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 237.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111070558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).