1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea

C14H20N4OS — CID 136539460

IUPAC1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C14H20N4OS/c1-10(2)18-8-7-13(16-18)15-14(19)17(4)11(3)12-6-5-9-20-12/h5-11H,1-4H3,(H,15,16,19)
InChIKeyRDSZCSXLQRVJBG-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.75
Rot. Bonds4

About 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea

1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea (PubChem CID 136539460) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
PubChem CID136539460
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C14H20N4OS/c1-10(2)18-8-7-13(16-18)15-14(19)17(4)11(3)12-6-5-9-20-12/h5-11H,1-4H3,(H,15,16,19)
InChIKeyRDSZCSXLQRVJBG-UHFFFAOYSA-N
XLogP3.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 122139751
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 125140445
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
CID 47065534
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea (CID 136539460) is 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea is CC(c1cccs1)N(C)C(=O)Nc1ccn(C(C)C)n1.
What is the InChIKey of 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is RDSZCSXLQRVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(2)18-8-7-13(16-18)15-14(19)17(4)11(3)12-6-5-9-20-12/h5-11H,1-4H3,(H,15,16,19).
What are the key properties of 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea?
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 292.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 136539460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).