1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine

C10H18N6 — CID 116514874

IUPAC1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine
SMILESCC(Cn1cccn1)N/C(=N/C1CC1)NN
InChIInChI=1S/C10H18N6/c1-8(7-16-6-2-5-12-16)13-10(15-11)14-9-3-4-9/h2,5-6,8-9H,3-4,7,11H2,1H3,(H2,13,14,15)
InChIKeyAJNBDVWZPXFYBX-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.16
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine

1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine (PubChem CID 116514874) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine
PubChem CID116514874
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine
SMILESCC(Cn1cccn1)N/C(=N/C1CC1)NN
InChIInChI=1S/C10H18N6/c1-8(7-16-6-2-5-12-16)13-10(15-11)14-9-3-4-9/h2,5-6,8-9H,3-4,7,11H2,1H3,(H2,13,14,15)
InChIKeyAJNBDVWZPXFYBX-UHFFFAOYSA-N
XLogP-0.16
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine (CID 116514874) is 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine is CC(Cn1cccn1)N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine?
The InChIKey is AJNBDVWZPXFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-8(7-16-6-2-5-12-16)13-10(15-11)14-9-3-4-9/h2,5-6,8-9H,3-4,7,11H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine?
1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine has a molecular weight of 222.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine is sourced from PubChem (CID 116514874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).