5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide

C16H13BrN6O2 — CID 171827693

IUPAC5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-n1nc(-c2ccc(Br)o2)c(C(N)=O)c1N
InChIInChI=1S/C16H13BrN6O2/c1-7-2-3-9-8(6-20-21-9)14(7)23-15(18)12(16(19)24)13(22-23)10-4-5-11(17)25-10/h2-6H,18H2,1H3,(H2,19,24)(H,20,21)
InChIKeyWDAIYKVIJFABOR-UHFFFAOYSA-N
MW401.22 g/mol
LogP2.76
Rot. Bonds3

About 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide

5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide (PubChem CID 171827693) has the molecular formula C16H13BrN6O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide
PubChem CID171827693
Molecular FormulaC16H13BrN6O2
Molecular Weight401.22 g/mol
Exact Mass400.03
IUPAC Name5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide
SMILESCc1ccc2[nH]ncc2c1-n1nc(-c2ccc(Br)o2)c(C(N)=O)c1N
InChIInChI=1S/C16H13BrN6O2/c1-7-2-3-9-8(6-20-21-9)14(7)23-15(18)12(16(19)24)13(22-23)10-4-5-11(17)25-10/h2-6H,18H2,1H3,(H2,19,24)(H,20,21)
InChIKeyWDAIYKVIJFABOR-UHFFFAOYSA-N
XLogP2.76
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-amino-2-methanimidoyl-6-methylphenyl)-3-(5-bromofuran-2-yl)pyrazole-4-carboxamide
CID 171827690
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
CID 171827629
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
CID 171827510
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
CID 171827657
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
7-amino-8-(5-methyl-1H-indazol-4-yl)-[1]benzofuro[3,2-b]pyridine-6-carboxamide
CID 170346672
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 171827552
5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
CID 155543479
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide
CID 171827674
5-(azepan-4-yloxy)-1H-indazole-4-carboxamide
CID 22933437
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one
CID 135272597

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide (CID 171827693) is 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide is Cc1ccc2[nH]ncc2c1-n1nc(-c2ccc(Br)o2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is WDAIYKVIJFABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O2/c1-7-2-3-9-8(6-20-21-9)14(7)23-15(18)12(16(19)24)13(22-23)10-4-5-11(17)25-10/h2-6H,18H2,1H3,(H2,19,24)(H,20,21).
What are the key properties of 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide?
5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 401.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).