(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C17H23N5O — CID 87045188

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N5O/c1-13-15(16-18-7-4-8-22(16)19-13)17(23)21-11-9-20(10-12-21)14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3
InChIKeyQKKNQWJKLWIMNC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 87045188) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID87045188
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N5O/c1-13-15(16-18-7-4-8-22(16)19-13)17(23)21-11-9-20(10-12-21)14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3
InChIKeyQKKNQWJKLWIMNC-UHFFFAOYSA-N
XLogP1.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 87045188) is (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1nn2cccnc2c1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is QKKNQWJKLWIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-15(16-18-7-4-8-22(16)19-13)17(23)21-11-9-20(10-12-21)14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 87045188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).