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

C14H15BrN6O — CID 19462327

IUPAC3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2nn3cccnc3c2Br)n1
InChIInChI=1S/C14H15BrN6O/c1-3-20-8-5-10(18-20)9(2)17-14(22)12-11(15)13-16-6-4-7-21(13)19-12/h4-9H,3H2,1-2H3,(H,17,22)
InChIKeyDPHKNARHVWFSJE-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.20
Rot. Bonds4

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

3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462327) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462327
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2nn3cccnc3c2Br)n1
InChIInChI=1S/C14H15BrN6O/c1-3-20-8-5-10(18-20)9(2)17-14(22)12-11(15)13-16-6-4-7-21(13)19-12/h4-9H,3H2,1-2H3,(H,17,22)
InChIKeyDPHKNARHVWFSJE-UHFFFAOYSA-N
XLogP2.20
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462191
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841
3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462053
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19462076
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462327) is 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ccc(C(C)NC(=O)c2nn3cccnc3c2Br)n1.
What is the InChIKey of 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DPHKNARHVWFSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c1-3-20-8-5-10(18-20)9(2)17-14(22)12-11(15)13-16-6-4-7-21(13)19-12/h4-9H,3H2,1-2H3,(H,17,22).
What are the key properties of 3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 2.20, 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-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).