5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C10H17N5O — CID 63751371

IUPAC5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCC(O)C1
InChIInChI=1S/C10H17N5O/c1-6-8(9(11)12)10(14(2)13-6)15-4-3-7(16)5-15/h7,16H,3-5H2,1-2H3,(H3,11,12)
InChIKeyPLAWAVMYSNIWQM-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.42
Rot. Bonds2

About 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63751371) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63751371
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCC(O)C1
InChIInChI=1S/C10H17N5O/c1-6-8(9(11)12)10(14(2)13-6)15-4-3-7(16)5-15/h7,16H,3-5H2,1-2H3,(H3,11,12)
InChIKeyPLAWAVMYSNIWQM-UHFFFAOYSA-N
XLogP-0.42
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 63751371) is 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is PLAWAVMYSNIWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-8(9(11)12)10(14(2)13-6)15-4-3-7(16)5-15/h7,16H,3-5H2,1-2H3,(H3,11,12).
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63751371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).