7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

C12H14ClN3 — CID 104621642

IUPAC7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C12H14ClN3/c1-7(2)9-6-12-14-10(8-3-4-8)5-11(13)16(12)15-9/h5-8H,3-4H2,1-2H3
InChIKeyVYUSBGRROXVXNA-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.38
Rot. Bonds2

About 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621642) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID104621642
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C12H14ClN3/c1-7(2)9-6-12-14-10(8-3-4-8)5-11(13)16(12)15-9/h5-8H,3-4H2,1-2H3
InChIKeyVYUSBGRROXVXNA-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 ≤ 500235.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
7-Chloro-5-cyclopropyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 63358162
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734
7-Chloro-5-(propan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16767830
7-Chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768034
5-Tert-butyl-7-chloro-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16768271
7-Chloro-2,5-dimethylpyrazolo(1,5-a)pyrimidine
CID 18406987

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 104621642) is 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VYUSBGRROXVXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-7(2)9-6-12-14-10(8-3-4-8)5-11(13)16(12)15-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 235.72 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-cyclopropyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).