(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone

C14H24N4O2 — CID 62076805

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C14H24N4O2/c1-4-20-10-6-5-7-18(8-10)14(19)13-11(15)12(9(2)3)16-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyWWMNPTWDTNHQPF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.76
Rot. Bonds4

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 62076805) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID62076805
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1
InChIInChI=1S/C14H24N4O2/c1-4-20-10-6-5-7-18(8-10)14(19)13-11(15)12(9(2)3)16-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyWWMNPTWDTNHQPF-UHFFFAOYSA-N
XLogP1.76
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone (CID 62076805) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2n[nH]c(C(C)C)c2N)C1.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is WWMNPTWDTNHQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-10-6-5-7-18(8-10)14(19)13-11(15)12(9(2)3)16-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62076805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).