5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C11H17ClN4 — CID 145163887

IUPAC5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.CC(C)c1cnn2c(N)cc(Cl)nc12
InChIInChI=1S/C9H11ClN4.C2H6/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-2/h3-5H,11H2,1-2H3;1-2H3
InChIKeyOJUDWSJOWKIYBU-UHFFFAOYSA-N
MW240.74 g/mol
LogP3.11
Rot. Bonds1

About 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 145163887) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID145163887
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.CC(C)c1cnn2c(N)cc(Cl)nc12
InChIInChI=1S/C9H11ClN4.C2H6/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-2/h3-5H,11H2,1-2H3;1-2H3
InChIKeyOJUDWSJOWKIYBU-UHFFFAOYSA-N
XLogP3.11
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142869999
5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142946922
(3-aminophenyl)-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
CID 170358411
5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
7-chloro-5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 170775874
(7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanamine
CID 117246812
CID 142947005
CID 142947005
2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine
CID 170938057
4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
CID 58083235
N-cyclopropyl-4,8-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 156513284
(1-phenylmethoxycarbonylazetidin-3-yl) 4-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 171798596
6-chloro-4-propan-2-ylpyridazin-3-amine
CID 90133627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 145163887) is 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is CC.CC(C)c1cnn2c(N)cc(Cl)nc12.
What is the InChIKey of 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is OJUDWSJOWKIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4.C2H6/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14;1-2/h3-5H,11H2,1-2H3;1-2H3.
What are the key properties of 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 240.74 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 145163887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).