1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C15H23N5O2S — CID 111475357

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCN(C)CCn1ccc(NC(=O)NCC(C)(O)c2ccsc2)n1
InChIInChI=1S/C15H23N5O2S/c1-15(22,12-5-9-23-10-12)11-16-14(21)17-13-4-6-20(18-13)8-7-19(2)3/h4-6,9-10,22H,7-8,11H2,1-3H3,(H2,16,17,18,21)
InChIKeyOSVNTIHNOFHHCX-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.54
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111475357) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111475357
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCN(C)CCn1ccc(NC(=O)NCC(C)(O)c2ccsc2)n1
InChIInChI=1S/C15H23N5O2S/c1-15(22,12-5-9-23-10-12)11-16-14(21)17-13-4-6-20(18-13)8-7-19(2)3/h4-6,9-10,22H,7-8,11H2,1-3H3,(H2,16,17,18,21)
InChIKeyOSVNTIHNOFHHCX-UHFFFAOYSA-N
XLogP1.54
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111475357) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is CN(C)CCn1ccc(NC(=O)NCC(C)(O)c2ccsc2)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is OSVNTIHNOFHHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-15(22,12-5-9-23-10-12)11-16-14(21)17-13-4-6-20(18-13)8-7-19(2)3/h4-6,9-10,22H,7-8,11H2,1-3H3,(H2,16,17,18,21).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 337.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111475357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).