5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane

C7H9ClN4 — CID 164538697

IUPAC5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Clc1ncc2[nH]ncc2n1
InChIInChI=1S/C5H3ClN4.C2H6/c6-5-7-1-4-3(9-5)2-8-10-4;1-2/h1-2H,(H,8,10);1-2H3
InChIKeyOHUKAIGRUZMXOU-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.03
Rot. Bonds

About 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane

5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane (PubChem CID 164538697) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
PubChem CID164538697
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.Clc1ncc2[nH]ncc2n1
InChIInChI=1S/C5H3ClN4.C2H6/c6-5-7-1-4-3(9-5)2-8-10-4;1-2/h1-2H,(H,8,10);1-2H3
InChIKeyOHUKAIGRUZMXOU-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1H-pyrazolo[4,3-d]pyrimidine-5-carboxylate
CID 154851752
N-methyl-1H-pyrazolo[4,5-b]pyridin-5-amine
CID 144643083
6-chloro-1H-pyrazolo[4,5-b]pyridine
CID 70700258
5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
CID 154728777
ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
CID 144792699
ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
CID 178139452
6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
CID 178139453
5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 141347023
formonitrile;1H-pyrazolo[4,3-d]pyrimidine
CID 159271837
6-bromo-2-chloroquinazoline;ethane
CID 143712376
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The IUPAC name of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane (CID 164538697) is 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane.
What is the SMILES notation for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The canonical SMILES for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane is CC.Clc1ncc2[nH]ncc2n1.
What is the InChIKey of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The InChIKey is OHUKAIGRUZMXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4.C2H6/c6-5-7-1-4-3(9-5)2-8-10-4;1-2/h1-2H,(H,8,10);1-2H3.
What are the key properties of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane?
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane has a molecular weight of 184.63 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane is sourced from PubChem (CID 164538697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).