1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine

C10H20N6 — CID 106106955

IUPAC1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCc1ccn(C)n1
InChIInChI=1S/C10H20N6/c1-3-6-12-10(14-11)13-7-4-9-5-8-16(2)15-9/h5,8H,3-4,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyJGMBQBGGQYWOLF-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.22
Rot. Bonds5

About 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine

1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine (PubChem CID 106106955) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
PubChem CID106106955
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCc1ccn(C)n1
InChIInChI=1S/C10H20N6/c1-3-6-12-10(14-11)13-7-4-9-5-8-16(2)15-9/h5,8H,3-4,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyJGMBQBGGQYWOLF-UHFFFAOYSA-N
XLogP-0.22
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.22
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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Related Compounds

1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
CID 106106954
1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 116514693
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
1-amino-3-hexyl-2-propylguanidine
CID 104886641
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine (CID 106106955) is 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine is CCC/N=C(\NN)NCCc1ccn(C)n1.
What is the InChIKey of 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine?
The InChIKey is JGMBQBGGQYWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-6-12-10(14-11)13-7-4-9-5-8-16(2)15-9/h5,8H,3-4,6-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine?
1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine has a molecular weight of 224.31 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 106106955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).