2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H25N5O — CID 114537149

IUPAC2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cc(C)n(CCCNCC2(C/C(N)=N/O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11-8-12(2)19(17-11)7-3-6-16-10-14(4-5-14)9-13(15)18-20/h8,16,20H,3-7,9-10H2,1-2H3,(H2,15,18)
InChIKeyWWWRZRIIAHHZIO-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.40
Rot. Bonds8

About 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 114537149) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID114537149
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cc(C)n(CCCNCC2(C/C(N)=N/O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11-8-12(2)19(17-11)7-3-6-16-10-14(4-5-14)9-13(15)18-20/h8,16,20H,3-7,9-10H2,1-2H3,(H2,15,18)
InChIKeyWWWRZRIIAHHZIO-UHFFFAOYSA-N
XLogP1.40
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 114537149) is 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is Cc1cc(C)n(CCCNCC2(C/C(N)=N/O)CC2)n1.
What is the InChIKey of 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is WWWRZRIIAHHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-8-12(2)19(17-11)7-3-6-16-10-14(4-5-14)9-13(15)18-20/h8,16,20H,3-7,9-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 279.39 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114537149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).