N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide

C14H10BrClN4OS — CID 16557673

IUPACN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc(Cl)nc1
InChIInChI=1S/C14H10BrClN4OS/c15-10-5-11(22-8-10)7-20-13(3-4-18-20)19-14(21)9-1-2-12(16)17-6-9/h1-6,8H,7H2,(H,19,21)
InChIKeyUIECSKDKJIDOKS-UHFFFAOYSA-N
MW397.69 g/mol
LogP4.06
Rot. Bonds4

About N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide

N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide (PubChem CID 16557673) has the molecular formula C14H10BrClN4OS and a molecular weight of 397.69 g/mol. Its IUPAC name is N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide
PubChem CID16557673
Molecular FormulaC14H10BrClN4OS
Molecular Weight397.69 g/mol
Exact Mass395.94
IUPAC NameN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc(Cl)nc1
InChIInChI=1S/C14H10BrClN4OS/c15-10-5-11(22-8-10)7-20-13(3-4-18-20)19-14(21)9-1-2-12(16)17-6-9/h1-6,8H,7H2,(H,19,21)
InChIKeyUIECSKDKJIDOKS-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 16557677
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
(E)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16617123
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 18190050
(E)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 25476830
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide (CID 16557673) is N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide is O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc(Cl)nc1.
What is the InChIKey of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide?
The InChIKey is UIECSKDKJIDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4OS/c15-10-5-11(22-8-10)7-20-13(3-4-18-20)19-14(21)9-1-2-12(16)17-6-9/h1-6,8H,7H2,(H,19,21).
What are the key properties of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide?
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide has a molecular weight of 397.69 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 16557673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).