2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C14H17N3O4 — CID 19485713

IUPAC2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(CCc1ccco1)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)16-13(18)9-17-12(14(19)20)6-7-15-17/h2-3,6-8,10H,4-5,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyZKJYGGKVICMJHR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.31
Rot. Bonds7

About 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485713) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485713
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(CCc1ccco1)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)16-13(18)9-17-12(14(19)20)6-7-15-17/h2-3,6-8,10H,4-5,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyZKJYGGKVICMJHR-UHFFFAOYSA-N
XLogP1.31
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 28848692
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 46959160
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485713) is 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is CC(CCc1ccco1)NC(=O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is ZKJYGGKVICMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)16-13(18)9-17-12(14(19)20)6-7-15-17/h2-3,6-8,10H,4-5,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).