1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

C9H16N6 — CID 116514484

IUPAC1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCn1cc(C/N=C(\NN)NC2CC2)cn1
InChIInChI=1S/C9H16N6/c1-15-6-7(5-12-15)4-11-9(14-10)13-8-2-3-8/h5-6,8H,2-4,10H2,1H3,(H2,11,13,14)
InChIKeyQSRQYBMECMNGJH-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.51
Rot. Bonds3

About 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine

1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (PubChem CID 116514484) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
PubChem CID116514484
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCn1cc(C/N=C(\NN)NC2CC2)cn1
InChIInChI=1S/C9H16N6/c1-15-6-7(5-12-15)4-11-9(14-10)13-8-2-3-8/h5-6,8H,2-4,10H2,1H3,(H2,11,13,14)
InChIKeyQSRQYBMECMNGJH-UHFFFAOYSA-N
XLogP-0.51
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.51
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'}

Analyze 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 110989999
1-amino-3-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885178
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-cyclopropyl-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110934875
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
CID 111228005
1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 62362450
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125027
1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511984
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111917942
1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
CID 116515958

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine (CID 116514484) is 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is Cn1cc(C/N=C(\NN)NC2CC2)cn1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
The InChIKey is QSRQYBMECMNGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-15-6-7(5-12-15)4-11-9(14-10)13-8-2-3-8/h5-6,8H,2-4,10H2,1H3,(H2,11,13,14).
What are the key properties of 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine?
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine has a molecular weight of 208.27 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 116514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).