1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 43535051

IUPAC1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCn1cc(NC(=O)CC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-15-8-9(7-13-15)14-10(16)6-12(11(17)18)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRCGGMWKYBWRKOP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43535051) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43535051
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCn1cc(NC(=O)CC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-15-8-9(7-13-15)14-10(16)6-12(11(17)18)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRCGGMWKYBWRKOP-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71708810
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096249
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 127865471
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43535051) is 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cn1cc(NC(=O)CC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RCGGMWKYBWRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-8-9(7-13-15)14-10(16)6-12(11(17)18)4-2-3-5-12/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43535051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).