3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine

C13H15Cl2N3 — CID 21035695

IUPAC3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(Cl)cc(CC3CCCCC3)nc12
InChIInChI=1S/C13H15Cl2N3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyQBLLZVVAADEJHA-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.16
Rot. Bonds2

About 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine

3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21035695) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21035695
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(Cl)cc(CC3CCCCC3)nc12
InChIInChI=1S/C13H15Cl2N3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyQBLLZVVAADEJHA-UHFFFAOYSA-N
XLogP4.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-(cyclohexylmethyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89351662
3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 170418247
5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
CID 155104261
trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409689
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89365677
7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
CID 10822397
(7-chloro-5-ethylpyrazolo[1,5-a]pyrimidin-3-yl)boronic acid
CID 167732764
4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide
CID 23541181
[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
CID 121206759
N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
CID 146558364
3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine
CID 21066425
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine (CID 21035695) is 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine is Clc1cnn2c(Cl)cc(CC3CCCCC3)nc12.
What is the InChIKey of 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QBLLZVVAADEJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 284.19 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).