1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C17H18N4OS — CID 51083728

IUPAC1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1ccc(C(NC(=O)NCc2ccn[nH]2)c2cccs2)cc1
InChIInChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)16(15-3-2-10-23-15)20-17(22)18-11-14-8-9-19-21-14/h2-10,16H,11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyHNDJNDJWQMQOPG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.37
Rot. Bonds5

About 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51083728) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51083728
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1ccc(C(NC(=O)NCc2ccn[nH]2)c2cccs2)cc1
InChIInChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)16(15-3-2-10-23-15)20-17(22)18-11-14-8-9-19-21-14/h2-10,16H,11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyHNDJNDJWQMQOPG-UHFFFAOYSA-N
XLogP3.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18775060
1-(4-butylphenyl)-N-(1H-pyrazol-5-ylmethyl)-1-thiophen-2-ylmethanamine
CID 119109846
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660
1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
CID 9052527
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 99945826
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
CID 9283722
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811
2-[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 47092882
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55575073
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 60601630

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51083728) is 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea is Cc1ccc(C(NC(=O)NCc2ccn[nH]2)c2cccs2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is HNDJNDJWQMQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-4-6-13(7-5-12)16(15-3-2-10-23-15)20-17(22)18-11-14-8-9-19-21-14/h2-10,16H,11H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 326.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51083728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).