N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C17H15BrN4O2 — CID 171675382

IUPACN-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(Br)cc1)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C17H15BrN4O2/c18-13-5-3-11(4-6-13)16(23)10-20-17(24)15-8-14(21-22-15)12-2-1-7-19-9-12/h1-9,16,23H,10H2,(H,20,24)(H,21,22)
InChIKeyOIMKJCAHXKSIIE-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 171675382) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID171675382
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(Br)cc1)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C17H15BrN4O2/c18-13-5-3-11(4-6-13)16(23)10-20-17(24)15-8-14(21-22-15)12-2-1-7-19-9-12/h1-9,16,23H,10H2,(H,20,24)(H,21,22)
InChIKeyOIMKJCAHXKSIIE-UHFFFAOYSA-N
XLogP2.70
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Bromophenyl)-N-[2-(pyridin-2-YL)ethyl]-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889841
6-(4-Bromophenyl)-N-[2-(pyridin-3-YL)ethyl]-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889842
N-[2-(4-bromophenyl)-2-hydroxyethyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117073573
(3R)-3-(4-bromophenyl)-3-(1H-pyrazolo[4,5-c]pyridine-4-carbonylamino)propanoic acid
CID 172472030
N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide
CID 91345645
4-[[(2S,5R)-5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 117995078
4-[[(2S,5R)-5-[(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 117995081
4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 117995098
4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 117995101
4-[(2S)-2-[[(2R)-2-(6-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]butyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 118003416
4-[[(2S,5R)-5-[(R)-(6-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 118003494
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 124085700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 171675382) is N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is O=C(NCC(O)c1ccc(Br)cc1)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OIMKJCAHXKSIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-13-5-3-11(4-6-13)16(23)10-20-17(24)15-8-14(21-22-15)12-2-1-7-19-9-12/h1-9,16,23H,10H2,(H,20,24)(H,21,22).
What are the key properties of N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171675382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).