1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 104617311

IUPAC1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCc1cc(NC(=O)CC2(C(=O)O)CCCC2)n[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-5-10-8-11(17-16-10)15-12(18)9-14(13(19)20)6-3-4-7-14/h8H,2-7,9H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyQCBWKGBSRAEGFX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 104617311) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID104617311
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCc1cc(NC(=O)CC2(C(=O)O)CCCC2)n[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-5-10-8-11(17-16-10)15-12(18)9-14(13(19)20)6-3-4-7-14/h8H,2-7,9H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyQCBWKGBSRAEGFX-UHFFFAOYSA-N
XLogP2.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 111538367
2-(1-aminocyclopentyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433565
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
3-ethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide
CID 113433541
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
2-(1-hydroxycyclopentyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 111430652
N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 104620450

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 104617311) is 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid is CCCc1cc(NC(=O)CC2(C(=O)O)CCCC2)n[nH]1.
What is the InChIKey of 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QCBWKGBSRAEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-5-10-8-11(17-16-10)15-12(18)9-14(13(19)20)6-3-4-7-14/h8H,2-7,9H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104617311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).