3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea

C14H20N4OS — CID 71989927

IUPAC3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
SMILESCCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyXOXSAUPGIQYCEJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.42
Rot. Bonds6

About 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea

3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea (PubChem CID 71989927) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
PubChem CID71989927
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea
SMILESCCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1
InChIInChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyXOXSAUPGIQYCEJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084982
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(1-thiophen-2-ylethyl)urea
CID 53497896
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56706155
2-(methyl{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}amino)-1-(1-pyrrolidinyl)-1-ethanone
CID 53193277
1-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 71808644
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 45829904
5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 47292668
N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084957
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 53615168
N-Methyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]thiophene-2-carboxamide
CID 56704292
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 71893166
N-{2-[5-methyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-2-oxoimidazolidine-1-carboxamide
CID 86266277

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea (CID 71989927) is 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea is CCc1cc(CNC(=O)N(C)CCc2cccs2)[nH]n1.
What is the InChIKey of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is XOXSAUPGIQYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11-9-12(17-16-11)10-15-14(19)18(2)7-6-13-5-4-8-20-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea?
3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 292.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methyl-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 71989927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).