6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide

C15H14BrN3O2 — CID 22578561

IUPAC6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C15H14BrN3O2/c1-9-12(7-18-19-9)6-17-15(20)11-4-10-5-13(16)2-3-14(10)21-8-11/h2-5,7H,6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFCZDNOLFKAFVKG-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.57
Rot. Bonds3

About 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide

6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 22578561) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID22578561
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C15H14BrN3O2/c1-9-12(7-18-19-9)6-17-15(20)11-4-10-5-13(16)2-3-14(10)21-8-11/h2-5,7H,6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFCZDNOLFKAFVKG-UHFFFAOYSA-N
XLogP2.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1001133
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1001169
4-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 72018499
7-bromo-4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 136543624
6-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 5050109
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 1001108
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 37804021
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56333900
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60614976
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60761557
6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxochromene-3-carboxamide
CID 72117120
(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 86881747

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide (CID 22578561) is 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is FCZDNOLFKAFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-12(7-18-19-9)6-17-15(20)11-4-10-5-13(16)2-3-14(10)21-8-11/h2-5,7H,6,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide?
6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).