1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C19H22N4OS — CID 16608922

IUPAC1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccsc1CN(C)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H22N4OS/c1-15-9-13-25-18(15)14-22(2)19(24)20-11-8-16-4-6-17(7-5-16)23-12-3-10-21-23/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,24)
InChIKeyIBKDSVWEEWIZJC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.63
Rot. Bonds6

About 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 16608922) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID16608922
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccsc1CN(C)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H22N4OS/c1-15-9-13-25-18(15)14-22(2)19(24)20-11-8-16-4-6-17(7-5-16)23-12-3-10-21-23/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,24)
InChIKeyIBKDSVWEEWIZJC-UHFFFAOYSA-N
XLogP3.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 71868594
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 16608962
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78833843
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101998
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 109421549
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 35484545
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 16608922) is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is Cc1ccsc1CN(C)C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is IBKDSVWEEWIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-15-9-13-25-18(15)14-22(2)19(24)20-11-8-16-4-6-17(7-5-16)23-12-3-10-21-23/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 354.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 16608922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).