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

C15H19ClN4 — CID 126500821

IUPAC7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCN1CCCC[C@H]1c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H19ClN4/c1-19-7-3-2-4-13(19)12-9-15-17-11(10-5-6-10)8-14(16)20(15)18-12/h8-10,13H,2-7H2,1H3/t13-/m0/s1
InChIKeyLWCNEDLEMAJNTK-ZDUSSCGKSA-N
MW290.80 g/mol
LogP3.42
Rot. Bonds2

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

7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 126500821) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID126500821
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCN1CCCC[C@H]1c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H19ClN4/c1-19-7-3-2-4-13(19)12-9-15-17-11(10-5-6-10)8-14(16)20(15)18-12/h8-10,13H,2-7H2,1H3/t13-/m0/s1
InChIKeyLWCNEDLEMAJNTK-ZDUSSCGKSA-N
XLogP3.42
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089
7-Chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 63820991
1-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-3-pyrrolidinamine
CID 56895115
4-(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1-piperazinesulfonamide
CID 56906558
3-Chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821831
Tert-butyl 3-(7-chloro-2-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 89173831
tert-butyl (2S)-2-(7-chloro-5-cyclopropyl-3-fluoropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 153626731
Tert-butyl 2-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)-4,4-difluoropiperidine-1-carboxylate
CID 153626956
5,7-dichloro-6-fluoro-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 153626995
Tert-butyl 2-(7-chloro-5-cyclopropyl-3-fluoropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 154969581
7-Chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
CID 154969585
7-Chloro-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162723892

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 126500821) is 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is CN1CCCC[C@H]1c1cc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is LWCNEDLEMAJNTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19-7-3-2-4-13(19)12-9-15-17-11(10-5-6-10)8-14(16)20(15)18-12/h8-10,13H,2-7H2,1H3/t13-/m0/s1.
What are the key properties of 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 290.80 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-2-[(2S)-1-methylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126500821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).