2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide

C11H16N4O — CID 106213470

IUPAC2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H16N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRINVXERLTFOALJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.53
Rot. Bonds5

About 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide

2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (PubChem CID 106213470) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
PubChem CID106213470
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H16N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRINVXERLTFOALJ-UHFFFAOYSA-N
XLogP1.53
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106213471
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 103857035

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (CID 106213470) is 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is CCCC(C#N)C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The InChIKey is RINVXERLTFOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide has a molecular weight of 220.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 106213470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).