3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H17BrN6O — CID 19462168

IUPAC3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2nn3cccnc3c2Br)c(C)n1
InChIInChI=1S/C15H17BrN6O/c1-4-21-8-11(10(3)19-21)9(2)18-15(23)13-12(16)14-17-6-5-7-22(14)20-13/h5-9H,4H2,1-3H3,(H,18,23)
InChIKeyMPFFQQUKLYHKPR-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.51
Rot. Bonds4

About 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462168) has the molecular formula C15H17BrN6O and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462168
Molecular FormulaC15H17BrN6O
Molecular Weight377.25 g/mol
Exact Mass376.06
IUPAC Name3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2nn3cccnc3c2Br)c(C)n1
InChIInChI=1S/C15H17BrN6O/c1-4-21-8-11(10(3)19-21)9(2)18-15(23)13-12(16)14-17-6-5-7-22(14)20-13/h5-9H,4H2,1-3H3,(H,18,23)
InChIKeyMPFFQQUKLYHKPR-UHFFFAOYSA-N
XLogP2.51
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462191
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
(3-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441682
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19624001
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462110
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
3-[(4-bromophenoxy)methyl]-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1231862
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462168) is 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(C(C)NC(=O)c2nn3cccnc3c2Br)c(C)n1.
What is the InChIKey of 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MPFFQQUKLYHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6O/c1-4-21-8-11(10(3)19-21)9(2)18-15(23)13-12(16)14-17-6-5-7-22(14)20-13/h5-9H,4H2,1-3H3,(H,18,23).
What are the key properties of 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 377.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).