1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine

C15H19N5O — CID 110917611

IUPAC1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
SMILESCOc1ccc(-n2ccc(C/N=C(\N)NC3CC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-21-14-6-4-13(5-7-14)20-9-8-12(19-20)10-17-15(16)18-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H3,16,17,18)
InChIKeyIHGYBWUFOBABCP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine

1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine (PubChem CID 110917611) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
PubChem CID110917611
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
SMILESCOc1ccc(-n2ccc(C/N=C(\N)NC3CC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-21-14-6-4-13(5-7-14)20-9-8-12(19-20)10-17-15(16)18-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H3,16,17,18)
InChIKeyIHGYBWUFOBABCP-UHFFFAOYSA-N
XLogP1.45
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1-methylguanidine
CID 110030402
1-cyclohexyl-3-ethyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine;hydroiodide
CID 110957013
N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920712
1-(2,3-dihydro-1H-inden-5-yl)-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 111073863
2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111073865
(3R)-N-ethyl-3-hydroxy-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidine-1-carboximidamide
CID 111550922
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 111141443
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine;hydroiodide
CID 111141442
N-[2-[[N-ethyl-N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927075
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 111073871
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine (CID 110917611) is 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine is COc1ccc(-n2ccc(C/N=C(\N)NC3CC3)n2)cc1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine?
The InChIKey is IHGYBWUFOBABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-14-6-4-13(5-7-14)20-9-8-12(19-20)10-17-15(16)18-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine?
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine has a molecular weight of 285.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine is sourced from PubChem (CID 110917611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).