3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 66031336

IUPAC3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)7-13(18)15-11-5-4-10(6-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyPVFKPKYARUHQJU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.95
Rot. Bonds4

About 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66031336) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66031336
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)7-13(18)15-11-5-4-10(6-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyPVFKPKYARUHQJU-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66031336) is 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1nn(C)c(C)c1CC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PVFKPKYARUHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)7-13(18)15-11-5-4-10(6-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).