N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15BrN4O — CID 52504731

IUPACN-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H15BrN4O/c1-11(8-12-4-2-5-13(17)9-12)20-16(22)14-10-19-21-7-3-6-18-15(14)21/h2-7,9-11H,8H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyHFQMYBBQWIWEIC-LLVKDONJSA-N
MW359.23 g/mol
LogP2.85
Rot. Bonds4

About N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 52504731) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID52504731
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H15BrN4O/c1-11(8-12-4-2-5-13(17)9-12)20-16(22)14-10-19-21-7-3-6-18-15(14)21/h2-7,9-11H,8H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyHFQMYBBQWIWEIC-LLVKDONJSA-N
XLogP2.85
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
CID 120703114
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-[5-(3-bromophenyl)-1-[2-[(trimethyl-λ4-sulfanyl)methoxy]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131983094
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 52504731) is N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HFQMYBBQWIWEIC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-11(8-12-4-2-5-13(17)9-12)20-16(22)14-10-19-21-7-3-6-18-15(14)21/h2-7,9-11H,8H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 52504731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).