3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

C15H27N5O — CID 77053135

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCC(N)=NO)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-12(2)19(9-8-15(16)18-21)11-13-7-10-20(17-13)14-5-3-4-6-14/h7,10,12,14,21H,3-6,8-9,11H2,1-2H3,(H2,16,18)
InChIKeyGSFLMSQSEAWPSY-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.35
Rot. Bonds7

About 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 77053135) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID77053135
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCC(N)=NO)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-12(2)19(9-8-15(16)18-21)11-13-7-10-20(17-13)14-5-3-4-6-14/h7,10,12,14,21H,3-6,8-9,11H2,1-2H3,(H2,16,18)
InChIKeyGSFLMSQSEAWPSY-UHFFFAOYSA-N
XLogP2.35
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.35
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-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 77053135) is 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is CC(C)N(CCC(N)=NO)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is GSFLMSQSEAWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)19(9-8-15(16)18-21)11-13-7-10-20(17-13)14-5-3-4-6-14/h7,10,12,14,21H,3-6,8-9,11H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 293.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).