1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

C19H18N8OS — CID 166180390

IUPAC1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESCSc1nnnn1-c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C19H18N8OS/c1-29-19-24-25-26-27(19)16-4-2-3-15(11-16)22-18(28)20-12-13-5-7-14(8-6-13)17-9-10-21-23-17/h2-11H,12H2,1H3,(H,21,23)(H2,20,22,28)
InChIKeyNMQZIKXKUDXHFL-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.10
Rot. Bonds6

About 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (PubChem CID 166180390) has the molecular formula C19H18N8OS and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
PubChem CID166180390
Molecular FormulaC19H18N8OS
Molecular Weight406.48 g/mol
Exact Mass406.13
IUPAC Name1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESCSc1nnnn1-c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C19H18N8OS/c1-29-19-24-25-26-27(19)16-4-2-3-15(11-16)22-18(28)20-12-13-5-7-14(8-6-13)17-9-10-21-23-17/h2-11H,12H2,1H3,(H,21,23)(H2,20,22,28)
InChIKeyNMQZIKXKUDXHFL-UHFFFAOYSA-N
XLogP3.10
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea with MolForge

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Related Compounds

4-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122078184
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 55809331
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 94786814
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]urea
CID 51946012
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (CID 166180390) is 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is CSc1nnnn1-c1cccc(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The InChIKey is NMQZIKXKUDXHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS/c1-29-19-24-25-26-27(19)16-4-2-3-15(11-16)22-18(28)20-12-13-5-7-14(8-6-13)17-9-10-21-23-17/h2-11H,12H2,1H3,(H,21,23)(H2,20,22,28).
What are the key properties of 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea has a molecular weight of 406.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is sourced from PubChem (CID 166180390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).