7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H15BrN6O — CID 19468380

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1
InChIInChI=1S/C15H15BrN6O/c1-3-6-18-15(23)11-8-13-17-7-5-12(22(13)19-11)14-10(16)9-21(4-2)20-14/h3,5,7-9H,1,4,6H2,2H3,(H,18,23)
InChIKeyGYUSTGQRQHTQKI-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.29
Rot. Bonds5

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468380) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468380
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1
InChIInChI=1S/C15H15BrN6O/c1-3-6-18-15(23)11-8-13-17-7-5-12(22(13)19-11)14-10(16)9-21(4-2)20-14/h3,5,7-9H,1,4,6H2,2H3,(H,18,23)
InChIKeyGYUSTGQRQHTQKI-UHFFFAOYSA-N
XLogP2.29
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(4-bromo-1-ethylpyrazol-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468626
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468377
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468440
dimethyl 5-[[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468354
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468479
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468476
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468405
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468548
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468536
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468518

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468380) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is C=CCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GYUSTGQRQHTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c1-3-6-18-15(23)11-8-13-17-7-5-12(22(13)19-11)14-10(16)9-21(4-2)20-14/h3,5,7-9H,1,4,6H2,2H3,(H,18,23).
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 375.23 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).