5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide

C11H18BrN5O2 — CID 162380892

IUPAC5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C11H18BrN5O2/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17/h1-7H2,(H2,13,18)(H2,14,15,16)
InChIKeyAXPXHACWPGYATQ-UHFFFAOYSA-N
MW332.20 g/mol
LogP0.41
Rot. Bonds6

About 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide

5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380892) has the molecular formula C11H18BrN5O2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380892
Molecular FormulaC11H18BrN5O2
Molecular Weight332.20 g/mol
Exact Mass331.06
IUPAC Name5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C11H18BrN5O2/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17/h1-7H2,(H2,13,18)(H2,14,15,16)
InChIKeyAXPXHACWPGYATQ-UHFFFAOYSA-N
XLogP0.41
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380724
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162380800
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
CID 162380891
3-bromo-5-(3-morpholin-4-ylpropylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381004
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;ethane;2-(methoxymethyl)pyrrolidine
CID 162381245
5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide;ethane;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162381663
CID 162381846
CID 162381846
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
CID 162380629
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815
5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide
CID 162380997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide (CID 162380892) is 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is AXPXHACWPGYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O2/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17/h1-7H2,(H2,13,18)(H2,14,15,16).
What are the key properties of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).