1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol

C10H19N5O — CID 69435237

IUPAC1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
SMILESCc1c(N)c(N)nn1CCN1CCC(O)C1
InChIInChI=1S/C10H19N5O/c1-7-9(11)10(12)13-15(7)5-4-14-3-2-8(16)6-14/h8,16H,2-6,11H2,1H3,(H2,12,13)
InChIKeyOWCUKNSWLSYVFB-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.58
Rot. Bonds3

About 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol

1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol (PubChem CID 69435237) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
PubChem CID69435237
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
SMILESCc1c(N)c(N)nn1CCN1CCC(O)C1
InChIInChI=1S/C10H19N5O/c1-7-9(11)10(12)13-15(7)5-4-14-3-2-8(16)6-14/h8,16H,2-6,11H2,1H3,(H2,12,13)
InChIKeyOWCUKNSWLSYVFB-UHFFFAOYSA-N
XLogP-0.58
TPSA93.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol (CID 69435237) is 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol is Cc1c(N)c(N)nn1CCN1CCC(O)C1.
What is the InChIKey of 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is OWCUKNSWLSYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7-9(11)10(12)13-15(7)5-4-14-3-2-8(16)6-14/h8,16H,2-6,11H2,1H3,(H2,12,13).
What are the key properties of 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 225.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 69435237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).