(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

C14H25N5O — CID 65357787

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2nn(CC)cc2N)CC1
InChIInChI=1S/C14H25N5O/c1-4-11(3)17-6-8-18(9-7-17)14(20)13-12(15)10-19(5-2)16-13/h10-11H,4-9,15H2,1-3H3
InChIKeyOGPSRASGENVPDC-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.04
Rot. Bonds4

About (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 65357787) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID65357787
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)c2nn(CC)cc2N)CC1
InChIInChI=1S/C14H25N5O/c1-4-11(3)17-6-8-18(9-7-17)14(20)13-12(15)10-19(5-2)16-13/h10-11H,4-9,15H2,1-3H3
InChIKeyOGPSRASGENVPDC-UHFFFAOYSA-N
XLogP1.04
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 65357787) is (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)c2nn(CC)cc2N)CC1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OGPSRASGENVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-11(3)17-6-8-18(9-7-17)14(20)13-12(15)10-19(5-2)16-13/h10-11H,4-9,15H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 279.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 65357787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).