N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

C16H12BrClN4O2 — CID 19507012

IUPACN-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C16H12BrClN4O2/c17-11-5-6-15(19-9-11)21-16(23)13-7-8-20-22(13)10-24-14-4-2-1-3-12(14)18/h1-9H,10H2,(H,19,21,23)
InChIKeyMHCXTWDCZOZNGZ-UHFFFAOYSA-N
MW407.66 g/mol
LogP3.98
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19507012) has the molecular formula C16H12BrClN4O2 and a molecular weight of 407.66 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19507012
Molecular FormulaC16H12BrClN4O2
Molecular Weight407.66 g/mol
Exact Mass405.98
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C16H12BrClN4O2/c17-11-5-6-15(19-9-11)21-16(23)13-7-8-20-22(13)10-24-14-4-2-1-3-12(14)18/h1-9H,10H2,(H,19,21,23)
InChIKeyMHCXTWDCZOZNGZ-UHFFFAOYSA-N
XLogP3.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19507070
2-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19507182
2-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide
CID 19507024
2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
CID 19507055
2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide
CID 19507015
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774786
2-[(2-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19507288
2-[(2-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507133
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19507012) is N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccc(Br)cn1)c1ccnn1COc1ccccc1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is MHCXTWDCZOZNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O2/c17-11-5-6-15(19-9-11)21-16(23)13-7-8-20-22(13)10-24-14-4-2-1-3-12(14)18/h1-9H,10H2,(H,19,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 407.66 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).