[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone

C15H13F2N5O — CID 4768997

IUPAC[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1
InChIInChI=1S/C15H13F2N5O/c1-8-5-18-21(7-8)15(23)10-6-19-22-12(13(16)17)4-11(9-2-3-9)20-14(10)22/h4-7,9,13H,2-3H2,1H3
InChIKeyOICKUSFUXQVVFZ-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.74
Rot. Bonds3

About [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone

[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone (PubChem CID 4768997) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone
PubChem CID4768997
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1
InChIInChI=1S/C15H13F2N5O/c1-8-5-18-21(7-8)15(23)10-6-19-22-12(13(16)17)4-11(9-2-3-9)20-14(10)22/h4-7,9,13H,2-3H2,1H3
InChIKeyOICKUSFUXQVVFZ-UHFFFAOYSA-N
XLogP2.74
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone (CID 4768997) is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1.
What is the InChIKey of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone?
The InChIKey is OICKUSFUXQVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c1-8-5-18-21(7-8)15(23)10-6-19-22-12(13(16)17)4-11(9-2-3-9)20-14(10)22/h4-7,9,13H,2-3H2,1H3.
What are the key properties of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone?
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone has a molecular weight of 317.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 4768997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).