5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

C12H15ClN4 — CID 58030097

IUPAC5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)nc2cc([C@@H]3CCCCN3)nn12
InChIInChI=1S/C12H15ClN4/c1-8-6-11(13)15-12-7-10(16-17(8)12)9-4-2-3-5-14-9/h6-7,9,14H,2-5H2,1H3/t9-/m0/s1
InChIKeyFILNFDSJMWPOSJ-VIFPVBQESA-N
MW250.73 g/mol
LogP2.51
Rot. Bonds1

About 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 58030097) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID58030097
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)nc2cc([C@@H]3CCCCN3)nn12
InChIInChI=1S/C12H15ClN4/c1-8-6-11(13)15-12-7-10(16-17(8)12)9-4-2-3-5-14-9/h6-7,9,14H,2-5H2,1H3/t9-/m0/s1
InChIKeyFILNFDSJMWPOSJ-VIFPVBQESA-N
XLogP2.51
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 58030097) is 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)nc2cc([C@@H]3CCCCN3)nn12.
What is the InChIKey of 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is FILNFDSJMWPOSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-6-11(13)15-12-7-10(16-17(8)12)9-4-2-3-5-14-9/h6-7,9,14H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58030097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).