1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide

C17H25N5O2 — CID 161164172

IUPAC1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide
SMILESCCC(=O)Cc1cn(C2(CC#N)CCN(CC)CC2)nc1C(N)=O
InChIInChI=1S/C17H25N5O2/c1-3-14(23)11-13-12-22(20-15(13)16(19)24)17(5-8-18)6-9-21(4-2)10-7-17/h12H,3-7,9-11H2,1-2H3,(H2,19,24)
InChIKeyUQHQOTROBKWCSR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.23
Rot. Bonds7

About 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide

1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide (PubChem CID 161164172) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide
PubChem CID161164172
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide
SMILESCCC(=O)Cc1cn(C2(CC#N)CCN(CC)CC2)nc1C(N)=O
InChIInChI=1S/C17H25N5O2/c1-3-14(23)11-13-12-22(20-15(13)16(19)24)17(5-8-18)6-9-21(4-2)10-7-17/h12H,3-7,9-11H2,1-2H3,(H2,19,24)
InChIKeyUQHQOTROBKWCSR-UHFFFAOYSA-N
XLogP1.23
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide (CID 161164172) is 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide is CCC(=O)Cc1cn(C2(CC#N)CCN(CC)CC2)nc1C(N)=O.
What is the InChIKey of 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide?
The InChIKey is UQHQOTROBKWCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-14(23)11-13-12-22(20-15(13)16(19)24)17(5-8-18)6-9-21(4-2)10-7-17/h12H,3-7,9-11H2,1-2H3,(H2,19,24).
What are the key properties of 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide?
1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-ethylpiperidin-4-yl]-4-(2-oxobutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 161164172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).