(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

C14H13BrN4O — CID 103125364

IUPAC(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)c1cnn2ccccc12
InChIInChI=1S/C14H13BrN4O/c1-2-6-19-13(11(15)9-17-19)14(20)10-8-16-18-7-4-3-5-12(10)18/h3-5,7-9H,2,6H2,1H3
InChIKeyHBQDUXOGXADWLF-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.93
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 103125364) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID103125364
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)c1cnn2ccccc12
InChIInChI=1S/C14H13BrN4O/c1-2-6-19-13(11(15)9-17-19)14(20)10-8-16-18-7-4-3-5-12(10)18/h3-5,7-9H,2,6H2,1H3
InChIKeyHBQDUXOGXADWLF-UHFFFAOYSA-N
XLogP2.93
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125389
(4-chloro-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125383
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 103125364) is (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is CCCn1ncc(Br)c1C(=O)c1cnn2ccccc12.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is HBQDUXOGXADWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-2-6-19-13(11(15)9-17-19)14(20)10-8-16-18-7-4-3-5-12(10)18/h3-5,7-9H,2,6H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 333.19 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 103125364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).