7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

C12H16ClN3 — CID 104621661

IUPAC7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C(C)C)nn2c(Cl)c1C
InChIInChI=1S/C12H16ClN3/c1-5-9-8(4)12(13)16-11(14-9)6-10(15-16)7(2)3/h6-7H,5H2,1-4H3
InChIKeyHPEWHPZDWYWKDR-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.38
Rot. Bonds2

About 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621661) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID104621661
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C(C)C)nn2c(Cl)c1C
InChIInChI=1S/C12H16ClN3/c1-5-9-8(4)12(13)16-11(14-9)6-10(15-16)7(2)3/h6-7H,5H2,1-4H3
InChIKeyHPEWHPZDWYWKDR-UHFFFAOYSA-N
XLogP3.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
CID 104621679
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650
5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 144569738
(5-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 117246795
5-chloro-1-(3,5-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66020556
5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476285
5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621638
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine
CID 167383207
2-chloro-11-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269894
5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 165475769

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 104621661) is 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is CCc1nc2cc(C(C)C)nn2c(Cl)c1C.
What is the InChIKey of 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HPEWHPZDWYWKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-5-9-8(4)12(13)16-11(14-9)6-10(15-16)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 237.73 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).