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

C13H20N4O3 — CID 80689093

IUPAC1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(CCNC(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C13H20N4O3/c1-17-9-10(8-15-17)4-7-14-12(20)16-13(11(18)19)5-2-3-6-13/h8-9H,2-7H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyMWZQGGHNEZKJFL-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.66
Rot. Bonds5

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

1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 80689093) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID80689093
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(CCNC(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C13H20N4O3/c1-17-9-10(8-15-17)4-7-14-12(20)16-13(11(18)19)5-2-3-6-13/h8-9H,2-7H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyMWZQGGHNEZKJFL-UHFFFAOYSA-N
XLogP0.66
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 78995061
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 80689093) is 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is Cn1cc(CCNC(=O)NC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MWZQGGHNEZKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17-9-10(8-15-17)4-7-14-12(20)16-13(11(18)19)5-2-3-6-13/h8-9H,2-7H2,1H3,(H,18,19)(H2,14,16,20).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 80689093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).