5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane

C14H21ClN4 — CID 163234486

IUPAC5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyGASJOTXDVBDBOS-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.32
Rot. Bonds1

About 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane

5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane (PubChem CID 163234486) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
PubChem CID163234486
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12
InChIInChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyGASJOTXDVBDBOS-UHFFFAOYSA-N
XLogP4.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
1-Methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
5-Methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 71601630
2-Phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708214
5-Ethyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708215
2-(2-Fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127046301
5-(2-Cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155562231
N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118711764
N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033449
4-N,4-N-dimethyl-1-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylcyclohexane-1,4-diamine
CID 145987619
PD 112488
CID 163568
1-methyl-4-(piperidin-1-yl)-1H-[1,2,3]triazolo[4,5-c]pyridine hydrochloride
CID 6602754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The IUPAC name of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane (CID 163234486) is 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane.
What is the SMILES notation for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The canonical SMILES for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane is CC.Cc1nn(C2CCCCC2)c2cnc(Cl)nc12.
What is the InChIKey of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
The InChIKey is GASJOTXDVBDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4.C2H6/c1-8-11-10(7-14-12(13)15-11)17(16-8)9-5-3-2-4-6-9;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane?
5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane has a molecular weight of 280.80 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclohexyl-3-methylpyrazolo[4,3-d]pyrimidine;ethane is sourced from PubChem (CID 163234486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).