5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide

C6H9BrN4O2 — CID 162380724

IUPAC5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCO)n[nH]c1Br
InChIInChI=1S/C6H9BrN4O2/c7-4-3(5(8)13)6(11-10-4)9-1-2-12/h12H,1-2H2,(H2,8,13)(H2,9,10,11)
InChIKeyFSFCKAIXXRIRAN-UHFFFAOYSA-N
MW249.07 g/mol
LogP-0.32
Rot. Bonds4

About 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide

5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380724) has the molecular formula C6H9BrN4O2 and a molecular weight of 249.07 g/mol. Its IUPAC name is 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380724
Molecular FormulaC6H9BrN4O2
Molecular Weight249.07 g/mol
Exact Mass247.99
IUPAC Name5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCO)n[nH]c1Br
InChIInChI=1S/C6H9BrN4O2/c7-4-3(5(8)13)6(11-10-4)9-1-2-12/h12H,1-2H2,(H2,8,13)(H2,9,10,11)
InChIKeyFSFCKAIXXRIRAN-UHFFFAOYSA-N
XLogP-0.32
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 155383535
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
CID 162380891
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
CID 162381350
CID 162381846
CID 162381846
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide;ethane;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162381943
3-bromo-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 138039687
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
CID 162380629
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
CID 162380892
5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide
CID 162380997
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbaldehyde
CID 162381398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide (CID 162380724) is 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCCO)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is FSFCKAIXXRIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O2/c7-4-3(5(8)13)6(11-10-4)9-1-2-12/h12H,1-2H2,(H2,8,13)(H2,9,10,11).
What are the key properties of 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 249.07 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).