3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C11H18N6O — CID 123561427

IUPAC3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)C1
InChIInChI=1S/C11H18N6O/c1-7-4-11(16-15-7)14-9(12)5-10(13)17-3-2-8(18)6-17/h4,8,13,18H,2-3,5-6H2,1H3,(H3,12,14,15,16)/b13-10-
InChIKeyODGJXVIHPYYDNB-RAXLEYEMSA-N
MW250.31 g/mol
LogP0.14
Rot. Bonds3

About 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123561427) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123561427
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)C1
InChIInChI=1S/C11H18N6O/c1-7-4-11(16-15-7)14-9(12)5-10(13)17-3-2-8(18)6-17/h4,8,13,18H,2-3,5-6H2,1H3,(H3,12,14,15,16)/b13-10-
InChIKeyODGJXVIHPYYDNB-RAXLEYEMSA-N
XLogP0.14
TPSA114.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.14
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123561427) is 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is ODGJXVIHPYYDNB-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H18N6O/c1-7-4-11(16-15-7)14-9(12)5-10(13)17-3-2-8(18)6-17/h4,8,13,18H,2-3,5-6H2,1H3,(H3,12,14,15,16)/b13-10-.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 250.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123561427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).