2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid

C11H13N3O3 — CID 21098791

IUPAC2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid
SMILESCOc1cccc2c(CCNC(=O)O)[nH]nc12
InChIInChI=1S/C11H13N3O3/c1-17-9-4-2-3-7-8(13-14-10(7)9)5-6-12-11(15)16/h2-4,12H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCJRYRUQCJWKVQS-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.38
Rot. Bonds4

About 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid

2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid (PubChem CID 21098791) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid
PubChem CID21098791
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid
SMILESCOc1cccc2c(CCNC(=O)O)[nH]nc12
InChIInChI=1S/C11H13N3O3/c1-17-9-4-2-3-7-8(13-14-10(7)9)5-6-12-11(15)16/h2-4,12H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCJRYRUQCJWKVQS-UHFFFAOYSA-N
XLogP1.38
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2H-indazol-3-yl)methanol
CID 76846319
(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate
CID 23071101
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
2-(7-methoxy-2H-indazol-3-yl)propan-1-amine
CID 83908733
N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
CID 57230790
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid
CID 122052173
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
3-(7-methoxy-2,1-benzoxazol-3-yl)propanoic acid
CID 105477082
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid (CID 21098791) is 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid is COc1cccc2c(CCNC(=O)O)[nH]nc12.
What is the InChIKey of 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid?
The InChIKey is CJRYRUQCJWKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-9-4-2-3-7-8(13-14-10(7)9)5-6-12-11(15)16/h2-4,12H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid?
2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid has a molecular weight of 235.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid is sourced from PubChem (CID 21098791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).