4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

C10H8ClF3N4 — CID 97181109

IUPAC4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2cnn(CC3CC3)c2n1
InChIInChI=1S/C10H8ClF3N4/c11-7-6-3-15-18(4-5-1-2-5)8(6)17-9(16-7)10(12,13)14/h3,5H,1-2,4H2
InChIKeyKGHVVESQBLYECZ-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.91
Rot. Bonds2

About 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 97181109) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID97181109
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2cnn(CC3CC3)c2n1
InChIInChI=1S/C10H8ClF3N4/c11-7-6-3-15-18(4-5-1-2-5)8(6)17-9(16-7)10(12,13)14/h3,5H,1-2,4H2
InChIKeyKGHVVESQBLYECZ-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (CID 97181109) is 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is FC(F)(F)c1nc(Cl)c2cnn(CC3CC3)c2n1.
What is the InChIKey of 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is KGHVVESQBLYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c11-7-6-3-15-18(4-5-1-2-5)8(6)17-9(16-7)10(12,13)14/h3,5H,1-2,4H2.
What are the key properties of 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 276.65 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 97181109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).