(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C14H25N5O — CID 65357767

IUPAC(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H25N5O/c1-4-19-10-12(15)13(16-19)14(20)18-7-5-17(6-8-18)9-11(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyODAUIYJHKOBFRG-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.90
Rot. Bonds4

About (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 65357767) 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-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID65357767
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H25N5O/c1-4-19-10-12(15)13(16-19)14(20)18-7-5-17(6-8-18)9-11(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyODAUIYJHKOBFRG-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
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-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 65357767) is (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CCn1cc(N)c(C(=O)N2CCN(CC(C)C)CC2)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is ODAUIYJHKOBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19-10-12(15)13(16-19)14(20)18-7-5-17(6-8-18)9-11(2)3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 279.39 g/mol, XLogP of 0.90, 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-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 65357767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).