7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C17H18ClN3 — CID 71531321

IUPAC7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(C)nn3c(Cl)cc(C(C)C)nc23)cc1
InChIInChI=1S/C17H18ClN3/c1-10(2)14-9-15(18)21-17(19-14)16(12(4)20-21)13-7-5-11(3)6-8-13/h5-10H,1-4H3
InChIKeyRPZAXOHTRMUHQV-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.79
Rot. Bonds2

About 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 71531321) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID71531321
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(C)nn3c(Cl)cc(C(C)C)nc23)cc1
InChIInChI=1S/C17H18ClN3/c1-10(2)14-9-15(18)21-17(19-14)16(12(4)20-21)13-7-5-11(3)6-8-13/h5-10H,1-4H3
InChIKeyRPZAXOHTRMUHQV-UHFFFAOYSA-N
XLogP4.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
2-methyl-3-(4-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71563419
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4898833
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 82274506
N,N,2,5-tetramethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71463223
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol
CID 155895434
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 71531321) is 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2c(C)nn3c(Cl)cc(C(C)C)nc23)cc1.
What is the InChIKey of 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RPZAXOHTRMUHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-10(2)14-9-15(18)21-17(19-14)16(12(4)20-21)13-7-5-11(3)6-8-13/h5-10H,1-4H3.
What are the key properties of 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 299.81 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71531321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).