7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine

C11H12ClN3 — CID 170418200

IUPAC7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCC1(Cc2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C11H12ClN3/c1-11(3-4-11)7-8-6-9(12)15-10(14-8)2-5-13-15/h2,5-6H,3-4,7H2,1H3
InChIKeyUUDIBFBWVMLJGN-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.73
Rot. Bonds2

About 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine

7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 170418200) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID170418200
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCC1(Cc2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C11H12ClN3/c1-11(3-4-11)7-8-6-9(12)15-10(14-8)2-5-13-15/h2,5-6H,3-4,7H2,1H3
InChIKeyUUDIBFBWVMLJGN-UHFFFAOYSA-N
XLogP2.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine (CID 170418200) is 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine is CC1(Cc2cc(Cl)n3nccc3n2)CC1.
What is the InChIKey of 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UUDIBFBWVMLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-11(3-4-11)7-8-6-9(12)15-10(14-8)2-5-13-15/h2,5-6H,3-4,7H2,1H3.
What are the key properties of 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 221.69 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170418200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).