3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine

C12H13Cl2N3 — CID 170418247

IUPAC3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(c1cc(Cl)n2ncc(Cl)c2n1)C1CC1
InChIInChI=1S/C12H13Cl2N3/c1-12(2,7-3-4-7)9-5-10(14)17-11(16-9)8(13)6-15-17/h5-7H,3-4H2,1-2H3
InChIKeyKPJVAVXNXZALGI-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.72
Rot. Bonds2

About 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine

3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170418247) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID170418247
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(c1cc(Cl)n2ncc(Cl)c2n1)C1CC1
InChIInChI=1S/C12H13Cl2N3/c1-12(2,7-3-4-7)9-5-10(14)17-11(16-9)8(13)6-15-17/h5-7H,3-4H2,1-2H3
InChIKeyKPJVAVXNXZALGI-UHFFFAOYSA-N
XLogP3.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dichloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
CID 21035695
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 21066435
trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409692
7-chloro-5-(cyclohexylmethyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89351662
7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274740
7-chloro-5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 170775874
5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
CID 155104261
3,5-dichloro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122457230
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89365677

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 170418247) is 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine is CC(C)(c1cc(Cl)n2ncc(Cl)c2n1)C1CC1.
What is the InChIKey of 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KPJVAVXNXZALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-12(2,7-3-4-7)9-5-10(14)17-11(16-9)8(13)6-15-17/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 270.16 g/mol, XLogP of 3.72, 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-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170418247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).