7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine

C13H16ClN3 — CID 129393998

IUPAC7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@@H]1CCCC[C@H]1c1cc(Cl)n2nccc2n1
InChIInChI=1S/C13H16ClN3/c1-9-4-2-3-5-10(9)11-8-12(14)17-13(16-11)6-7-15-17/h6-10H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyDEYXKVQVYWPGDD-NXEZZACHSA-N
MW249.74 g/mol
LogP3.68
Rot. Bonds1

About 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine

7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 129393998) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID129393998
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESC[C@@H]1CCCC[C@H]1c1cc(Cl)n2nccc2n1
InChIInChI=1S/C13H16ClN3/c1-9-4-2-3-5-10(9)11-8-12(14)17-13(16-11)6-7-15-17/h6-10H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyDEYXKVQVYWPGDD-NXEZZACHSA-N
XLogP3.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine
CID 21066425
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 86664785
tert-butyl (3S)-3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 124518617
7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
CID 170418200
tert-butyl 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 160997114
methyl 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 159322913
4,6-dichloro-2-(2-methylcyclohexyl)pyrimidine
CID 130805079
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 67000939
4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
CID 143294265
7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
CID 170418328
5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine
CID 82274678
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 129393998) is 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine is C[C@@H]1CCCC[C@H]1c1cc(Cl)n2nccc2n1.
What is the InChIKey of 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DEYXKVQVYWPGDD-NXEZZACHSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-4-2-3-5-10(9)11-8-12(14)17-13(16-11)6-7-15-17/h6-10H,2-5H2,1H3/t9-,10-/m1/s1.
What are the key properties of 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 249.74 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 129393998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).