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

C15H27BrN6O2 — CID 162380891

IUPAC5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
SMILESC1CCNC1.NC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C11H18BrN5O2.C4H9N/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17;1-2-4-5-3-1/h1-7H2,(H2,13,18)(H2,14,15,16);5H,1-4H2
InChIKeyKLGZSKBQVWWYDZ-UHFFFAOYSA-N
MW403.33 g/mol
LogP0.78
Rot. Bonds6

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

5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine (PubChem CID 162380891) has the molecular formula C15H27BrN6O2 and a molecular weight of 403.33 g/mol. Its IUPAC name is 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine.

Molecular Properties

Compound Name5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
PubChem CID162380891
Molecular FormulaC15H27BrN6O2
Molecular Weight403.33 g/mol
Exact Mass402.14
IUPAC Name5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
SMILESC1CCNC1.NC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br
InChIInChI=1S/C11H18BrN5O2.C4H9N/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17;1-2-4-5-3-1/h1-7H2,(H2,13,18)(H2,14,15,16);5H,1-4H2
InChIKeyKLGZSKBQVWWYDZ-UHFFFAOYSA-N
XLogP0.78
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide;2-(methoxymethyl)pyrrolidine
CID 162380628
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-(2-morpholin-4-ylethylamino)-1H-pyrazole-4-carboxamide;ethane;1-[2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 162380996
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-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
CID 162381350
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-hydroxyethylamino)-1H-pyrazole-4-carboxamide;ethane;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162381943
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The IUPAC name of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine (CID 162380891) is 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine.
What is the SMILES notation for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The canonical SMILES for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine is C1CCNC1.NC(=O)c1c(NCCCN2CCOCC2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The InChIKey is KLGZSKBQVWWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O2.C4H9N/c12-9-8(10(13)18)11(16-15-9)14-2-1-3-17-4-6-19-7-5-17;1-2-4-5-3-1/h1-7H2,(H2,13,18)(H2,14,15,16);5H,1-4H2.
What are the key properties of 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine has a molecular weight of 403.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide;pyrrolidine is sourced from PubChem (CID 162380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).