4-cyclopropyl-5-methylsulfanyl-1H-indazole

C11H12N2S — CID 167157837

IUPAC4-cyclopropyl-5-methylsulfanyl-1H-indazole
SMILESCSc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C11H12N2S/c1-14-10-5-4-9-8(6-12-13-9)11(10)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyNLMNJUWFBPFVON-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.16
Rot. Bonds2

About 4-cyclopropyl-5-methylsulfanyl-1H-indazole

4-cyclopropyl-5-methylsulfanyl-1H-indazole (PubChem CID 167157837) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-methylsulfanyl-1H-indazole.

Molecular Properties

Compound Name4-cyclopropyl-5-methylsulfanyl-1H-indazole
PubChem CID167157837
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-cyclopropyl-5-methylsulfanyl-1H-indazole
SMILESCSc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C11H12N2S/c1-14-10-5-4-9-8(6-12-13-9)11(10)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyNLMNJUWFBPFVON-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
N,N-dimethyl-4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 22933733
5-chloro-4-propan-2-yl-1H-indazole
CID 130218938
N-cyclopropyl-1H-indazol-4-amine
CID 103439210
ethyl 4-(5-methyl-1H-indazol-4-yl)-2-oxocyclohexane-1-carboxylate
CID 139388584
(2S,13S,14R)-13-cyclopropyl-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 162431267
4-fluoro-5-(1-iodoethyl)-1H-indazole
CID 135227288
1-(5-fluoro-1H-indazol-4-yl)ethanamine
CID 135336846
4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
CID 160586655
propylamino 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propane-1-sulfonate
CID 174673926
4-(azetidin-3-yl)-1H-indazole;ethane
CID 91525008

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methylsulfanyl-1H-indazole?
The IUPAC name of 4-cyclopropyl-5-methylsulfanyl-1H-indazole (CID 167157837) is 4-cyclopropyl-5-methylsulfanyl-1H-indazole.
What is the SMILES notation for 4-cyclopropyl-5-methylsulfanyl-1H-indazole?
The canonical SMILES for 4-cyclopropyl-5-methylsulfanyl-1H-indazole is CSc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methylsulfanyl-1H-indazole?
The InChIKey is NLMNJUWFBPFVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-14-10-5-4-9-8(6-12-13-9)11(10)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-cyclopropyl-5-methylsulfanyl-1H-indazole?
4-cyclopropyl-5-methylsulfanyl-1H-indazole has a molecular weight of 204.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methylsulfanyl-1H-indazole is sourced from PubChem (CID 167157837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).