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

C16H18N6O — CID 110091261

IUPAC(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3ccnc4ccnn34)CC2)n1
InChIInChI=1S/C16H18N6O/c1-20-9-6-13(19-20)16(23)21-10-4-12(5-11-21)14-2-7-17-15-3-8-18-22(14)15/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyZNWDHNVSMXQHNL-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.48
Rot. Bonds2

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

(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone (PubChem CID 110091261) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
PubChem CID110091261
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3ccnc4ccnn34)CC2)n1
InChIInChI=1S/C16H18N6O/c1-20-9-6-13(19-20)16(23)21-10-4-12(5-11-21)14-2-7-17-15-3-8-18-22(14)15/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyZNWDHNVSMXQHNL-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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Related Compounds

(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 127245007
(3-ethyl-1,2-oxazol-5-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091282
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
1H-indazol-3-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091319
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
CID 110091222
[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118556
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone (CID 110091261) is (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone is Cn1ccc(C(=O)N2CCC(c3ccnc4ccnn34)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
The InChIKey is ZNWDHNVSMXQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-20-9-6-13(19-20)16(23)21-10-4-12(5-11-21)14-2-7-17-15-3-8-18-22(14)15/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone?
(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone 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 (1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110091261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).