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

C24H23BrN4O3 — CID 134133525

IUPACN-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(C2(CCO)CC(c3cccnc3)=NN2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)
InChIKeyFKUVJZGPXYCCEB-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.77
Rot. Bonds6

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

N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide (PubChem CID 134133525) has the molecular formula C24H23BrN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
PubChem CID134133525
Molecular FormulaC24H23BrN4O3
Molecular Weight495.38 g/mol
Exact Mass494.10
IUPAC NameN-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
SMILESCOc1ccc(C2(CCO)CC(c3cccnc3)=NN2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)
InChIKeyFKUVJZGPXYCCEB-UHFFFAOYSA-N
XLogP4.77
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134141633
(5R)-N-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134150489
N-(4-bromophenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56670012
(5S)-N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
CID 134156667
5-(4-methoxyphenyl)-4-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18987700
N-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463208
3-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68706313
3-(4-Bromophenyl)-1-[(4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42698229
1-(4-Bromophenyl)-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]urea
CID 55701964

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide (CID 134133525) is N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide is COc1ccc(C2(CCO)CC(c3cccnc3)=NN2C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide?
The InChIKey is FKUVJZGPXYCCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31).
What are the key properties of N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide?
N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134133525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).