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

C12H14ClN3 — CID 170418328

IUPAC7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(c1cc(Cl)n2nccc2n1)C1(C)CC1
InChIInChI=1S/C12H14ClN3/c1-8(12(2)4-5-12)9-7-10(13)16-11(15-9)3-6-14-16/h3,6-8H,4-5H2,1-2H3
InChIKeyVPABSZITPRPALT-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.29
Rot. Bonds2

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

7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 170418328) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
PubChem CID170418328
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(c1cc(Cl)n2nccc2n1)C1(C)CC1
InChIInChI=1S/C12H14ClN3/c1-8(12(2)4-5-12)9-7-10(13)16-11(15-9)3-6-14-16/h3,6-8H,4-5H2,1-2H3
InChIKeyVPABSZITPRPALT-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine (CID 170418328) is 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine is CC(c1cc(Cl)n2nccc2n1)C1(C)CC1.
What is the InChIKey of 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VPABSZITPRPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(12(2)4-5-12)9-7-10(13)16-11(15-9)3-6-14-16/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 235.72 g/mol, XLogP of 3.29, 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-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170418328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).