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

C6H12N6 — CID 131091796

IUPAC1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESNN/C(N)=N/CCc1cn[nH]c1
InChIInChI=1S/C6H12N6/c7-6(12-8)9-2-1-5-3-10-11-4-5/h3-4H,1-2,8H2,(H,10,11)(H3,7,9,12)
InChIKeyCJOPVJHMBNDMIC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.27
Rot. Bonds3

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

1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine (PubChem CID 131091796) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine
PubChem CID131091796
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine
SMILESNN/C(N)=N/CCc1cn[nH]c1
InChIInChI=1S/C6H12N6/c7-6(12-8)9-2-1-5-3-10-11-4-5/h3-4H,1-2,8H2,(H,10,11)(H3,7,9,12)
InChIKeyCJOPVJHMBNDMIC-UHFFFAOYSA-N
XLogP-1.27
TPSA105.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.27
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-(1H-pyrazol-4-ylmethyl)guanidine
CID 64866241
1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 130848450
1-amino-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 64874829
1-amino-3-[2-(1H-pyrazol-4-yl)ethyl]thiourea
CID 127014953
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
N'-(1H-pyrazol-4-ylmethyl)propanimidamide
CID 63177896
1-amino-3-(1-methoxypropan-2-yl)-2-(1H-pyrazol-4-ylmethyl)guanidine
CID 104885568
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
CID 63177899
1-amino-2-[2-(3-bromophenyl)ethyl]guanidine
CID 130663054
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
CID 63177958
2-(1H-pyrazol-4-yl)ethanethiol
CID 130569311

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine (CID 131091796) is 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine is NN/C(N)=N/CCc1cn[nH]c1.
What is the InChIKey of 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
The InChIKey is CJOPVJHMBNDMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c7-6(12-8)9-2-1-5-3-10-11-4-5/h3-4H,1-2,8H2,(H,10,11)(H3,7,9,12).
What are the key properties of 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine?
1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine has a molecular weight of 168.20 g/mol, XLogP of -1.27, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 131091796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).