1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H23N3O3 — CID 115886750

IUPAC1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H23N3O3/c1-3-12-11(10-18(2)17-12)9-16-13(19)8-15(14(20)21)6-4-5-7-15/h10H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyPSWIOQZMMHHWHU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 115886750) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID115886750
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H23N3O3/c1-3-12-11(10-18(2)17-12)9-16-13(19)8-15(14(20)21)6-4-5-7-15/h10H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyPSWIOQZMMHHWHU-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669267
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103882141
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 115990370
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
3-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 115991110

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 115886750) is 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCc1nn(C)cc1CNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PSWIOQZMMHHWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-11(10-18(2)17-12)9-16-13(19)8-15(14(20)21)6-4-5-7-15/h10H,3-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115886750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).