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

C10H16BrN5O2 — CID 162380997

IUPAC5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C10H16BrN5O2/c11-8-7(9(12)17)10(15-14-8)13-1-2-16-3-5-18-6-4-16/h1-6H2,(H2,12,17)(H2,13,14,15)
InChIKeyNGXCJXSKHNXHRT-UHFFFAOYSA-N
MW318.18 g/mol
LogP0.02
Rot. Bonds5

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

5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380997) has the molecular formula C10H16BrN5O2 and a molecular weight of 318.18 g/mol. Its IUPAC name is 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380997
Molecular FormulaC10H16BrN5O2
Molecular Weight318.18 g/mol
Exact Mass317.05
IUPAC Name5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C10H16BrN5O2/c11-8-7(9(12)17)10(15-14-8)13-1-2-16-3-5-18-6-4-16/h1-6H2,(H2,12,17)(H2,13,14,15)
InChIKeyNGXCJXSKHNXHRT-UHFFFAOYSA-N
XLogP0.02
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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;hydrochloride
CID 162381003
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
3-bromo-5-(2-morpholin-4-ylethylamino)-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 162381799
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
CID 162380892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide (CID 162380997) is 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCCN2CCOCC2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is NGXCJXSKHNXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O2/c11-8-7(9(12)17)10(15-14-8)13-1-2-16-3-5-18-6-4-16/h1-6H2,(H2,12,17)(H2,13,14,15).
What are the key properties of 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 318.18 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).