2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid

C13H20N4O3 — CID 64702333

IUPAC2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid
SMILESCc1nn(C)c(NC2(CC(=O)O)CCCC2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-13(7-9(18)19)5-3-4-6-13/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyWXNZHPFMWYHHMG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.03
Rot. Bonds5

About 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid

2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid (PubChem CID 64702333) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid
PubChem CID64702333
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid
SMILESCc1nn(C)c(NC2(CC(=O)O)CCCC2)c1C(N)=O
InChIInChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-13(7-9(18)19)5-3-4-6-13/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19)
InChIKeyWXNZHPFMWYHHMG-UHFFFAOYSA-N
XLogP1.03
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid (CID 64702333) is 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid is Cc1nn(C)c(NC2(CC(=O)O)CCCC2)c1C(N)=O.
What is the InChIKey of 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid?
The InChIKey is WXNZHPFMWYHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-10(11(14)20)12(17(2)16-8)15-13(7-9(18)19)5-3-4-6-13/h15H,3-7H2,1-2H3,(H2,14,20)(H,18,19).
What are the key properties of 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid?
2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).