1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine

C5H10N6 — CID 64866241

IUPAC1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1cn[nH]c1
InChIInChI=1S/C5H10N6/c6-5(11-7)8-1-4-2-9-10-3-4/h2-3H,1,7H2,(H,9,10)(H3,6,8,11)
InChIKeyAPFXUDPAHWPKHU-UHFFFAOYSA-N
MW154.18 g/mol
LogP-1.31
Rot. Bonds2

About 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine

1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine (PubChem CID 64866241) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine
PubChem CID64866241
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1cn[nH]c1
InChIInChI=1S/C5H10N6/c6-5(11-7)8-1-4-2-9-10-3-4/h2-3H,1,7H2,(H,9,10)(H3,6,8,11)
InChIKeyAPFXUDPAHWPKHU-UHFFFAOYSA-N
XLogP-1.31
TPSA105.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-1.31
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-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 131091796
N'-(1H-pyrazol-4-ylmethyl)propanimidamide
CID 63177896
N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
CID 63177899
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
CID 63177958
1-amino-3-(1-methoxypropan-2-yl)-2-(1H-pyrazol-4-ylmethyl)guanidine
CID 104885568
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
2-(1H-pyrazol-4-yl)acetamide
CID 22405808
1-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 130848450
1-amino-3-[2-(1H-pyrazol-4-yl)ethyl]thiourea
CID 127014953
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine (CID 64866241) is 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine is NN/C(N)=N/Cc1cn[nH]c1.
What is the InChIKey of 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine?
The InChIKey is APFXUDPAHWPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c6-5(11-7)8-1-4-2-9-10-3-4/h2-3H,1,7H2,(H,9,10)(H3,6,8,11).
What are the key properties of 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine?
1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine has a molecular weight of 154.18 g/mol, XLogP of -1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine is sourced from PubChem (CID 64866241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).