5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid

C15H19N3O4S — CID 170456846

IUPAC5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cc(C(=O)O)cs2)cn1
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)22-14(21)16-4-5-18-8-11(7-17-18)12-6-10(9-23-12)13(19)20/h6-9H,4-5H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyZYZWYHOVNDBHFU-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.83
Rot. Bonds5

About 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid

5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 170456846) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid
PubChem CID170456846
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cc(C(=O)O)cs2)cn1
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)22-14(21)16-4-5-18-8-11(7-17-18)12-6-10(9-23-12)13(19)20/h6-9H,4-5H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyZYZWYHOVNDBHFU-UHFFFAOYSA-N
XLogP2.83
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-methyl-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]benzoic acid
CID 171906097
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid
CID 170456840
tert-butyl N-[2-[4-[3-amino-5-(difluoromethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
CID 171394108
tert-butyl N-[2-[4-(2-ethynyl-4,5-difluorophenyl)pyrazol-1-yl]ethyl]carbamate
CID 172909538
tert-butyl N-[2-[4-(5-cyano-2-methylphenyl)pyrazol-1-yl]ethyl]carbamate
CID 172915281
tert-butyl N-[2-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]carbamate
CID 171115701
tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
CID 146020705
tert-butyl N-[2-[4-(4-amino-2-fluoro-3-methylphenyl)pyrazol-1-yl]ethyl]carbamate
CID 171906287
methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate
CID 142411634
tert-butyl N-[2-[4-[4-cyano-2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
CID 170855209
CID 154687839
CID 154687839

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid (CID 170456846) is 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)NCCn1cc(-c2cc(C(=O)O)cs2)cn1.
What is the InChIKey of 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is ZYZWYHOVNDBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-15(2,3)22-14(21)16-4-5-18-8-11(7-17-18)12-6-10(9-23-12)13(19)20/h6-9H,4-5H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid?
5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 337.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 170456846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).