4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H18BrN5O2 — CID 56566131

IUPAC4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2n[nH]c(C(C)C)c2Br)n[nH]1
InChIInChI=1S/C17H18BrN5O2/c1-9(2)15-14(18)16(23-22-15)17(24)19-13-8-11(20-21-13)10-6-4-5-7-12(10)25-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,24)
InChIKeyCJAMVIYULRNOFP-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.95
Rot. Bonds5

About 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56566131) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56566131
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2n[nH]c(C(C)C)c2Br)n[nH]1
InChIInChI=1S/C17H18BrN5O2/c1-9(2)15-14(18)16(23-22-15)17(24)19-13-8-11(20-21-13)10-6-4-5-7-12(10)25-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,24)
InChIKeyCJAMVIYULRNOFP-UHFFFAOYSA-N
XLogP3.95
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56552544
4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56559943
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 91954044
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
4-bromo-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56566131) is 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccccc1-c1cc(NC(=O)c2n[nH]c(C(C)C)c2Br)n[nH]1.
What is the InChIKey of 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is CJAMVIYULRNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-9(2)15-14(18)16(23-22-15)17(24)19-13-8-11(20-21-13)10-6-4-5-7-12(10)25-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56566131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).