3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C15H14ClN3 — CID 15285472

IUPAC3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(Cc3ccccc3Cl)c2n1
InChIInChI=1S/C15H14ClN3/c1-10-7-11(2)19-15(18-10)13(9-17-19)8-12-5-3-4-6-14(12)16/h3-7,9H,8H2,1-2H3
InChIKeyIJKHDKFPGBOOIL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.59
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 15285472) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID15285472
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(Cc3ccccc3Cl)c2n1
InChIInChI=1S/C15H14ClN3/c1-10-7-11(2)19-15(18-10)13(9-17-19)8-12-5-3-4-6-14(12)16/h3-7,9H,8H2,1-2H3
InChIKeyIJKHDKFPGBOOIL-UHFFFAOYSA-N
XLogP3.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
2-[(2-chlorophenyl)methyl]-6-methylpyrazine
CID 70937873
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 141189662
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 56720902
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide
CID 110478133
(2R)-N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 95119763
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 86724872
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 39624781
5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274694

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 15285472) is 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(Cc3ccccc3Cl)c2n1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IJKHDKFPGBOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-7-11(2)19-15(18-10)13(9-17-19)8-12-5-3-4-6-14(12)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15285472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).