1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine

C7H14N6 — CID 130848450

IUPAC1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESC/N=C(\NN)NCCc1cn[nH]c1
InChIInChI=1S/C7H14N6/c1-9-7(13-8)10-3-2-6-4-11-12-5-6/h4-5H,2-3,8H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyHVKUPZFVRODAIY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.01
Rot. Bonds3

About 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine

1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine (PubChem CID 130848450) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
PubChem CID130848450
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESC/N=C(\NN)NCCc1cn[nH]c1
InChIInChI=1S/C7H14N6/c1-9-7(13-8)10-3-2-6-4-11-12-5-6/h4-5H,2-3,8H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyHVKUPZFVRODAIY-UHFFFAOYSA-N
XLogP-1.01
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine
CID 116510792
1-amino-2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 104882301
1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 131091796
1-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylguanidine
CID 116510665
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
2-(1H-pyrazol-4-yl)acetamide
CID 22405808
1-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111228815
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
1-amino-3-[2-(4-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 116511628

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine (CID 130848450) is 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine is C/N=C(\NN)NCCc1cn[nH]c1.
What is the InChIKey of 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The InChIKey is HVKUPZFVRODAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-9-7(13-8)10-3-2-6-4-11-12-5-6/h4-5H,2-3,8H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine has a molecular weight of 182.23 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 130848450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).