1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

C11H20N6 — CID 104884313

IUPAC1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCc1[nH]ncc1CCC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H20N6/c1-8-9(7-14-17-8)3-2-6-13-11(16-12)15-10-4-5-10/h7,10H,2-6,12H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyWPYMNXCXFIZUHS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.22
Rot. Bonds5

About 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (PubChem CID 104884313) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
PubChem CID104884313
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCc1[nH]ncc1CCC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H20N6/c1-8-9(7-14-17-8)3-2-6-13-11(16-12)15-10-4-5-10/h7,10H,2-6,12H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyWPYMNXCXFIZUHS-UHFFFAOYSA-N
XLogP0.22
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914812
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
CID 111210091
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-ethyl-3-hexyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111161896
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-(3,5-dimethylphenyl)-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111042590
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111693885
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111406551
1-ethyl-3-(4-methylpentyl)-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111942624
1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2-phenylethyl)guanidine
CID 111135955
4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60761293

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (CID 104884313) is 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is Cc1[nH]ncc1CCC/N=C(\NN)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The InChIKey is WPYMNXCXFIZUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-8-9(7-14-17-8)3-2-6-13-11(16-12)15-10-4-5-10/h7,10H,2-6,12H2,1H3,(H,14,17)(H2,13,15,16).
What are the key properties of 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine has a molecular weight of 236.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 104884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).