3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

C19H25N5O2 — CID 55715961

IUPAC3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccn1
InChIInChI=1S/C19H25N5O2/c1-4-26-19-12-16(8-10-21-19)13-22-18(25)7-6-17-14(2)23-24(15(17)3)11-5-9-20/h8,10,12H,4-7,11,13H2,1-3H3,(H,22,25)
InChIKeyNPFQPAAXCWCUBR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.46
Rot. Bonds9

About 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (PubChem CID 55715961) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
PubChem CID55715961
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccn1
InChIInChI=1S/C19H25N5O2/c1-4-26-19-12-16(8-10-21-19)13-22-18(25)7-6-17-14(2)23-24(15(17)3)11-5-9-20/h8,10,12H,4-7,11,13H2,1-3H3,(H,22,25)
InChIKeyNPFQPAAXCWCUBR-UHFFFAOYSA-N
XLogP2.46
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 60566048
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 31533852
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide
CID 31533006
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 99188694
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 46456760
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 38621763
N-[2-(4-chlorophenoxy)ethyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 31533399
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 43053587
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 56791210
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 31405262
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3,4-dimethylphenyl)sulfanylethyl]propanamide
CID 43053323
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 31406330

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (CID 55715961) is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is CCOc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccn1.
What is the InChIKey of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is NPFQPAAXCWCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-26-19-12-16(8-10-21-19)13-22-18(25)7-6-17-14(2)23-24(15(17)3)11-5-9-20/h8,10,12H,4-7,11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55715961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).