5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

C12H15FN4 — CID 170419102

IUPAC5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1cc(C(C)C2CC2)nc2c(F)cnn12
InChIInChI=1S/C12H15FN4/c1-7(8-3-4-8)10-5-11(14-2)17-12(16-10)9(13)6-15-17/h5-8,14H,3-4H2,1-2H3
InChIKeyCVOHHVHFCCPFMB-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.42
Rot. Bonds3

About 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170419102) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170419102
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1cc(C(C)C2CC2)nc2c(F)cnn12
InChIInChI=1S/C12H15FN4/c1-7(8-3-4-8)10-5-11(14-2)17-12(16-10)9(13)6-15-17/h5-8,14H,3-4H2,1-2H3
InChIKeyCVOHHVHFCCPFMB-UHFFFAOYSA-N
XLogP2.42
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 170419102) is 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is CNc1cc(C(C)C2CC2)nc2c(F)cnn12.
What is the InChIKey of 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CVOHHVHFCCPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-7(8-3-4-8)10-5-11(14-2)17-12(16-10)9(13)6-15-17/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 234.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-3-fluoro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170419102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).