[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C16H18N6O — CID 127339721

IUPAC[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCn1cc(C2CCN(C(=O)c3cnn4cccnc34)CC2)cn1
InChIInChI=1S/C16H18N6O/c1-20-11-13(9-18-20)12-3-7-21(8-4-12)16(23)14-10-19-22-6-2-5-17-15(14)22/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyBPVFAICXAVSQEI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.48
Rot. Bonds2

About [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 127339721) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID127339721
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCn1cc(C2CCN(C(=O)c3cnn4cccnc34)CC2)cn1
InChIInChI=1S/C16H18N6O/c1-20-11-13(9-18-20)12-3-7-21(8-4-12)16(23)14-10-19-22-6-2-5-17-15(14)22/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyBPVFAICXAVSQEI-UHFFFAOYSA-N
XLogP1.48
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 127339721) is [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is Cn1cc(C2CCN(C(=O)c3cnn4cccnc34)CC2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is BPVFAICXAVSQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-20-11-13(9-18-20)12-3-7-21(8-4-12)16(23)14-10-19-22-6-2-5-17-15(14)22/h2,5-6,9-12H,3-4,7-8H2,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 127339721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).