(3-carbamoyl-1H-indazol-5-yl)carbamic acid

C9H8N4O3 — CID 151772440

IUPAC(3-carbamoyl-1H-indazol-5-yl)carbamic acid
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)O)cc12
InChIInChI=1S/C9H8N4O3/c10-8(14)7-5-3-4(11-9(15)16)1-2-6(5)12-13-7/h1-3,11H,(H2,10,14)(H,12,13)(H,15,16)
InChIKeyRSWDJQPJUJHLHD-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.75
Rot. Bonds2

About (3-carbamoyl-1H-indazol-5-yl)carbamic acid

(3-carbamoyl-1H-indazol-5-yl)carbamic acid (PubChem CID 151772440) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is (3-carbamoyl-1H-indazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(3-carbamoyl-1H-indazol-5-yl)carbamic acid
PubChem CID151772440
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name(3-carbamoyl-1H-indazol-5-yl)carbamic acid
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)O)cc12
InChIInChI=1S/C9H8N4O3/c10-8(14)7-5-3-4(11-9(15)16)1-2-6(5)12-13-7/h1-3,11H,(H2,10,14)(H,12,13)(H,15,16)
InChIKeyRSWDJQPJUJHLHD-UHFFFAOYSA-N
XLogP0.75
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
CID 166187982
5-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-1H-indazole-3-carboxamide
CID 167878177
N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
CID 166348680
4-methyl-1H-indazole-3-carboxamide
CID 67513423
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide
CID 155945095
5-N,5-N-dimethyl-1H-indazole-3,5-dicarboxamide
CID 145143152
5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
CID 167914687
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-1H-indazol-5-yl)carbamic acid?
The IUPAC name of (3-carbamoyl-1H-indazol-5-yl)carbamic acid (CID 151772440) is (3-carbamoyl-1H-indazol-5-yl)carbamic acid.
What is the SMILES notation for (3-carbamoyl-1H-indazol-5-yl)carbamic acid?
The canonical SMILES for (3-carbamoyl-1H-indazol-5-yl)carbamic acid is NC(=O)c1n[nH]c2ccc(NC(=O)O)cc12.
What is the InChIKey of (3-carbamoyl-1H-indazol-5-yl)carbamic acid?
The InChIKey is RSWDJQPJUJHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-8(14)7-5-3-4(11-9(15)16)1-2-6(5)12-13-7/h1-3,11H,(H2,10,14)(H,12,13)(H,15,16).
What are the key properties of (3-carbamoyl-1H-indazol-5-yl)carbamic acid?
(3-carbamoyl-1H-indazol-5-yl)carbamic acid has a molecular weight of 220.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1H-indazol-5-yl)carbamic acid is sourced from PubChem (CID 151772440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).