4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide

C11H17N5O2 — CID 65358956

IUPAC4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C11H17N5O2/c1-2-16-9(7(12)6-14-16)11(18)15-8-4-3-5-13-10(8)17/h6,8H,2-5,12H2,1H3,(H,13,17)(H,15,18)
InChIKeyIOVNSNSHVMIKCW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.51
Rot. Bonds3

About 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide (PubChem CID 65358956) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
PubChem CID65358956
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C11H17N5O2/c1-2-16-9(7(12)6-14-16)11(18)15-8-4-3-5-13-10(8)17/h6,8H,2-5,12H2,1H3,(H,13,17)(H,15,18)
InChIKeyIOVNSNSHVMIKCW-UHFFFAOYSA-N
XLogP-0.51
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide (CID 65358956) is 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1CCCNC1=O.
What is the InChIKey of 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide?
The InChIKey is IOVNSNSHVMIKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-16-9(7(12)6-14-16)11(18)15-8-4-3-5-13-10(8)17/h6,8H,2-5,12H2,1H3,(H,13,17)(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 65358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).