7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine

C14H11Cl2N3 — CID 82274547

IUPAC7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(Cl)c1Cc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-12(8-10-3-2-4-11(15)7-10)14(16)19-13(18-9)5-6-17-19/h2-7H,8H2,1H3
InChIKeyRCSKPWPTLKDEKM-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.94
Rot. Bonds2

About 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274547) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274547
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(Cl)c1Cc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-12(8-10-3-2-4-11(15)7-10)14(16)19-13(18-9)5-6-17-19/h2-7H,8H2,1H3
InChIKeyRCSKPWPTLKDEKM-UHFFFAOYSA-N
XLogP3.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274553
4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
CID 82169007
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 113433308
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132609
7-chloro-6-isocyano-5-methylpyrazolo[1,5-a]pyrimidine
CID 58314348
5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
CID 164889382
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
[6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 4171846
7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426482
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 82274547) is 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1nc2ccnn2c(Cl)c1Cc1cccc(Cl)c1.
What is the InChIKey of 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RCSKPWPTLKDEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-9-12(8-10-3-2-4-11(15)7-10)14(16)19-13(18-9)5-6-17-19/h2-7H,8H2,1H3.
What are the key properties of 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 292.17 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).