7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C16H17ClN4 — CID 82274506

IUPAC7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccncc3)c(C)nn2c(Cl)c1C(C)C
InChIInChI=1S/C16H17ClN4/c1-9(2)13-10(3)19-16-14(12-5-7-18-8-6-12)11(4)20-21(16)15(13)17/h5-9H,1-4H3
InChIKeyYGXSEAOUSKHSIM-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.18
Rot. Bonds2

About 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274506) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82274506
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccncc3)c(C)nn2c(Cl)c1C(C)C
InChIInChI=1S/C16H17ClN4/c1-9(2)13-10(3)19-16-14(12-5-7-18-8-6-12)11(4)20-21(16)15(13)17/h5-9H,1-4H3
InChIKeyYGXSEAOUSKHSIM-UHFFFAOYSA-N
XLogP4.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 71531321
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
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)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822384
6-benzyl-2,5-dimethyl-3-phenyl-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3747470
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
2,3,5,7-tetramethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 157107180

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 82274506) is 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3ccncc3)c(C)nn2c(Cl)c1C(C)C.
What is the InChIKey of 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YGXSEAOUSKHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-9(2)13-10(3)19-16-14(12-5-7-18-8-6-12)11(4)20-21(16)15(13)17/h5-9H,1-4H3.
What are the key properties of 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 300.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-6-propan-2-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).