3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide

C21H23BrN4O3 — CID 55470975

IUPAC3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)N2CCOCC2)o1
InChIInChI=1S/C21H23BrN4O3/c1-14-2-7-20(29-14)19(26-8-10-28-11-9-26)13-23-21(27)18-12-17(24-25-18)15-3-5-16(22)6-4-15/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyQKDRKAYEDDTCHW-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.54
Rot. Bonds6

About 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide (PubChem CID 55470975) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide
PubChem CID55470975
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC Name3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)N2CCOCC2)o1
InChIInChI=1S/C21H23BrN4O3/c1-14-2-7-20(29-14)19(26-8-10-28-11-9-26)13-23-21(27)18-12-17(24-25-18)15-3-5-16(22)6-4-15/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyQKDRKAYEDDTCHW-UHFFFAOYSA-N
XLogP3.54
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
5-(4-bromophenyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26835251

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide (CID 55470975) is 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)N2CCOCC2)o1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QKDRKAYEDDTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-14-2-7-20(29-14)19(26-8-10-28-11-9-26)13-23-21(27)18-12-17(24-25-18)15-3-5-16(22)6-4-15/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55470975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).