3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole

C12H13ClN4 — CID 130205818

IUPAC3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2ccnc(Cl)n2)c2c1CCCC2
InChIInChI=1S/C12H13ClN4/c1-17-10-5-3-2-4-8(10)11(16-17)9-6-7-14-12(13)15-9/h6-7H,2-5H2,1H3
InChIKeyGZFVNWMSABWAQH-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.41
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole

3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 130205818) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole
PubChem CID130205818
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc(-c2ccnc(Cl)n2)c2c1CCCC2
InChIInChI=1S/C12H13ClN4/c1-17-10-5-3-2-4-8(10)11(16-17)9-6-7-14-12(13)15-9/h6-7H,2-5H2,1H3
InChIKeyGZFVNWMSABWAQH-UHFFFAOYSA-N
XLogP2.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(1-methylpyrrol-2-yl)-4,5,6,7-tetrahydroindazole
CID 134999475
3-iodo-1-methyl-4,5,6,7-tetrahydroindazole
CID 71280279
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
tert-butyl-[[5-(2-chloropyrimidin-4-yl)-1-methyl-1,2,4-triazol-3-yl]methoxy]-dimethylsilane
CID 167435892
5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole
CID 166610755
3-ethyl-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 123686375
1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 12031296
1-methyl-3-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 70967701
2-chloro-4-[5-(4-chlorophenyl)-2H-triazol-4-yl]pyrimidine
CID 22675240
4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 133056624
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole (CID 130205818) is 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole is Cn1nc(-c2ccnc(Cl)n2)c2c1CCCC2.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is GZFVNWMSABWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17-10-5-3-2-4-8(10)11(16-17)9-6-7-14-12(13)15-9/h6-7H,2-5H2,1H3.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 248.72 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-1-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 130205818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).