1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

C10H19N5 — CID 62362450

IUPAC1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCn1cc(C/N=C(\N)NC(C)(C)C)cn1
InChIInChI=1S/C10H19N5/c1-10(2,3)14-9(11)12-5-8-6-13-15(4)7-8/h6-7H,5H2,1-4H3,(H3,11,12,14)
InChIKeyBCCFDMMHMIVFOG-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.62
Rot. Bonds2

About 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (PubChem CID 62362450) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
PubChem CID62362450
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCn1cc(C/N=C(\N)NC(C)(C)C)cn1
InChIInChI=1S/C10H19N5/c1-10(2,3)14-9(11)12-5-8-6-13-15(4)7-8/h6-7H,5H2,1-4H3,(H3,11,12,14)
InChIKeyBCCFDMMHMIVFOG-UHFFFAOYSA-N
XLogP0.62
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
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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Related Compounds

1-(3-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111081414
1-tert-butyl-2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111815492
2-[(1-methylpyrazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111081485
1-(2,5-dimethoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119120385
1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111081429
1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
CID 122098600
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111081499
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-tert-butylguanidine
CID 111049192
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (CID 62362450) is 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is Cn1cc(C/N=C(\N)NC(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The InChIKey is BCCFDMMHMIVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)14-9(11)12-5-8-6-13-15(4)7-8/h6-7H,5H2,1-4H3,(H3,11,12,14).
What are the key properties of 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine has a molecular weight of 209.30 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 1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 62362450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).