1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H19N3O3 — CID 54896846

IUPAC1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H19N3O3/c1-9-10(8-15-16-9)7-14-11(17)6-13(12(18)19)4-2-3-5-13/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyPAXZJPPRQVATEJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 54896846) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID54896846
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H19N3O3/c1-9-10(8-15-16-9)7-14-11(17)6-13(12(18)19)4-2-3-5-13/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyPAXZJPPRQVATEJ-UHFFFAOYSA-N
XLogP1.37
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 54896846) is 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1[nH]ncc1CNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PAXZJPPRQVATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-10(8-15-16-9)7-14-11(17)6-13(12(18)19)4-2-3-5-13/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54896846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).