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

C17H22BrN3O2 — CID 86897012

IUPAC4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2n[nH]c(C(C)C)c2Br)c1
InChIInChI=1S/C17H22BrN3O2/c1-10(2)15-14(18)16(21-20-15)17(22)19-9-12-6-5-7-13(8-12)23-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyGZXMEXZXIQJFHQ-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.01
Rot. Bonds6

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

4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 86897012) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID86897012
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)c2n[nH]c(C(C)C)c2Br)c1
InChIInChI=1S/C17H22BrN3O2/c1-10(2)15-14(18)16(21-20-15)17(22)19-9-12-6-5-7-13(8-12)23-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyGZXMEXZXIQJFHQ-UHFFFAOYSA-N
XLogP4.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567426
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
4-bromo-5-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 56560135
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560231
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566997
3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
CID 43910398
1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2H-isoquinoline-3-carboxamide
CID 56817985
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
CID 122556142
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 86897012) is 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide is CC(C)Oc1cccc(CNC(=O)c2n[nH]c(C(C)C)c2Br)c1.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GZXMEXZXIQJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-10(2)15-14(18)16(21-20-15)17(22)19-9-12-6-5-7-13(8-12)23-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86897012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).