(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C16H23N5O — CID 53040843

IUPAC(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-4-19-7-9-20(10-8-19)16(22)13-11-14(12(2)3)21-15(18-13)5-6-17-21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyLBIIFGGLWKYYMV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040843) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040843
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-4-19-7-9-20(10-8-19)16(22)13-11-14(12(2)3)21-15(18-13)5-6-17-21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyLBIIFGGLWKYYMV-UHFFFAOYSA-N
XLogP1.63
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040843) is (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is CCN1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is LBIIFGGLWKYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-19-7-9-20(10-8-19)16(22)13-11-14(12(2)3)21-15(18-13)5-6-17-21/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
(4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).