N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide

C16H26N4O2 — CID 49054716

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H26N4O2/c1-3-12(4-2)16(22)19-14-9-17-20(10-14)11-15(21)18-13-7-5-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLVVXBXKYWACHBS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds7

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide (PubChem CID 49054716) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
PubChem CID49054716
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H26N4O2/c1-3-12(4-2)16(22)19-14-9-17-20(10-14)11-15(21)18-13-7-5-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLVVXBXKYWACHBS-UHFFFAOYSA-N
XLogP2.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide 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-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 49055305
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide (CID 49054716) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide?
The InChIKey is LVVXBXKYWACHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-12(4-2)16(22)19-14-9-17-20(10-14)11-15(21)18-13-7-5-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 49054716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).