1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine

C11H19N5O — CID 110061776

IUPAC1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
SMILESCOc1c(C/N=C(\N)NC2CC2)c(C)nn1C
InChIInChI=1S/C11H19N5O/c1-7-9(10(17-3)16(2)15-7)6-13-11(12)14-8-4-5-8/h8H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeySFQIMKXWOVMACJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.30
Rot. Bonds4

About 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine

1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 110061776) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
PubChem CID110061776
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
SMILESCOc1c(C/N=C(\N)NC2CC2)c(C)nn1C
InChIInChI=1S/C11H19N5O/c1-7-9(10(17-3)16(2)15-7)6-13-11(12)14-8-4-5-8/h8H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeySFQIMKXWOVMACJ-UHFFFAOYSA-N
XLogP0.30
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.30
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

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-octylguanidine
CID 110061818
N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110061873
1,3-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 91648306
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110061835
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 115600762
1-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 110917611
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine (CID 110061776) is 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine is COc1c(C/N=C(\N)NC2CC2)c(C)nn1C.
What is the InChIKey of 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is SFQIMKXWOVMACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-9(10(17-3)16(2)15-7)6-13-11(12)14-8-4-5-8/h8H,4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine?
1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 237.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 110061776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).