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

C17H20BrN3O2 — CID 71910901

IUPAC4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCC2(O)CCc3ccccc32)c1Br
InChIInChI=1S/C17H20BrN3O2/c1-10(2)14-13(18)15(21-20-14)16(22)19-9-17(23)8-7-11-5-3-4-6-12(11)17/h3-6,10,23H,7-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMZZCYCGGNSOBKG-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.86
Rot. Bonds4

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

4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 71910901) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID71910901
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCC2(O)CCc3ccccc32)c1Br
InChIInChI=1S/C17H20BrN3O2/c1-10(2)14-13(18)15(21-20-14)16(22)19-9-17(23)8-7-11-5-3-4-6-12(11)17/h3-6,10,23H,7-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMZZCYCGGNSOBKG-UHFFFAOYSA-N
XLogP2.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 71910901) is 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCC2(O)CCc3ccccc32)c1Br.
What is the InChIKey of 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MZZCYCGGNSOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-10(2)14-13(18)15(21-20-14)16(22)19-9-17(23)8-7-11-5-3-4-6-12(11)17/h3-6,10,23H,7-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71910901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).