3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide

C11H19N5O — CID 82866214

IUPAC3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCn1ccc(CN(CC/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C11H19N5O/c1-15-6-4-9(13-15)8-16(10-2-3-10)7-5-11(12)14-17/h4,6,10,17H,2-3,5,7-8H2,1H3,(H2,12,14)
InChIKeyYZHAXMWACFFLGZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.52
Rot. Bonds6

About 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide

3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide (PubChem CID 82866214) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
PubChem CID82866214
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCn1ccc(CN(CC/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C11H19N5O/c1-15-6-4-9(13-15)8-16(10-2-3-10)7-5-11(12)14-17/h4,6,10,17H,2-3,5,7-8H2,1H3,(H2,12,14)
InChIKeyYZHAXMWACFFLGZ-UHFFFAOYSA-N
XLogP0.52
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide (CID 82866214) is 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide is Cn1ccc(CN(CC/C(N)=N/O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is YZHAXMWACFFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-6-4-9(13-15)8-16(10-2-3-10)7-5-11(12)14-17/h4,6,10,17H,2-3,5,7-8H2,1H3,(H2,12,14).
What are the key properties of 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 237.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 82866214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).