[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone

C14H16F2N4O — CID 1093978

IUPAC[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(F)F)n2ncc(C(=O)N3CCCCC3)c2n1
InChIInChI=1S/C14H16F2N4O/c1-9-7-11(12(15)16)20-13(18-9)10(8-17-20)14(21)19-5-3-2-4-6-19/h7-8,12H,2-6H2,1H3
InChIKeyAAHGCCGJWBYLKR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.60
Rot. Bonds2

About [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone

[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 1093978) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
PubChem CID1093978
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(F)F)n2ncc(C(=O)N3CCCCC3)c2n1
InChIInChI=1S/C14H16F2N4O/c1-9-7-11(12(15)16)20-13(18-9)10(8-17-20)14(21)19-5-3-2-4-6-19/h7-8,12H,2-6H2,1H3
InChIKeyAAHGCCGJWBYLKR-UHFFFAOYSA-N
XLogP2.60
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
5-Cyclopropyl-7-(difluoromethyl)-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1256831

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone (CID 1093978) is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone is Cc1cc(C(F)F)n2ncc(C(=O)N3CCCCC3)c2n1.
What is the InChIKey of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is AAHGCCGJWBYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-7-11(12(15)16)20-13(18-9)10(8-17-20)14(21)19-5-3-2-4-6-19/h7-8,12H,2-6H2,1H3.
What are the key properties of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 294.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1093978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).