1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea

C10H12N4OS — CID 47248492

IUPAC1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCc1ccc(CNC(=O)Nc2cn[nH]c2)s1
InChIInChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)6-11-10(15)14-8-4-12-13-5-8/h2-5H,6H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyJMFMIPDQLSKJJF-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.10
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea

1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 47248492) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID47248492
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCc1ccc(CNC(=O)Nc2cn[nH]c2)s1
InChIInChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)6-11-10(15)14-8-4-12-13-5-8/h2-5H,6H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyJMFMIPDQLSKJJF-UHFFFAOYSA-N
XLogP2.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 62056596
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248167
1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47253712
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
CID 51082921
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
CID 62057821

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea (CID 47248492) is 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea is Cc1ccc(CNC(=O)Nc2cn[nH]c2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is JMFMIPDQLSKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-2-3-9(16-7)6-11-10(15)14-8-4-12-13-5-8/h2-5H,6H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 236.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 47248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).