3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

C10H16BrN5O2 — CID 162380608

IUPAC3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCO
InChIInChI=1S/C10H16BrN5O2/c11-8-7(9(12)18)10(14-3-4-17)16(15-8)6-1-2-13-5-6/h6,13-14,17H,1-5H2,(H2,12,18)/t6-/m0/s1
InChIKeyBACWGPIAUYHYCE-LURJTMIESA-N
MW318.18 g/mol
LogP-0.32
Rot. Bonds5

About 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 162380608) has the molecular formula C10H16BrN5O2 and a molecular weight of 318.18 g/mol. Its IUPAC name is 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID162380608
Molecular FormulaC10H16BrN5O2
Molecular Weight318.18 g/mol
Exact Mass317.05
IUPAC Name3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCO
InChIInChI=1S/C10H16BrN5O2/c11-8-7(9(12)18)10(14-3-4-17)16(15-8)6-1-2-13-5-6/h6,13-14,17H,1-5H2,(H2,12,18)/t6-/m0/s1
InChIKeyBACWGPIAUYHYCE-LURJTMIESA-N
XLogP-0.32
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 162380608) is 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1c(Br)nn([C@H]2CCNC2)c1NCCO.
What is the InChIKey of 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is BACWGPIAUYHYCE-LURJTMIESA-N. The full InChI is InChI=1S/C10H16BrN5O2/c11-8-7(9(12)18)10(14-3-4-17)16(15-8)6-1-2-13-5-6/h6,13-14,17H,1-5H2,(H2,12,18)/t6-/m0/s1.
What are the key properties of 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 318.18 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-hydroxyethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162380608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).