1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

C16H23N5O2S — CID 56793042

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESCc1ccsc1CNC(=O)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C16H23N5O2S/c1-13-3-11-24-14(13)12-17-16(22)18-15-2-4-21(19-15)6-5-20-7-9-23-10-8-20/h2-4,11H,5-10,12H2,1H3,(H2,17,18,19,22)
InChIKeyZUQUQTHEXJMUSS-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.91
Rot. Bonds6

About 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (PubChem CID 56793042) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
PubChem CID56793042
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESCc1ccsc1CNC(=O)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C16H23N5O2S/c1-13-3-11-24-14(13)12-17-16(22)18-15-2-4-21(19-15)6-5-20-7-9-23-10-8-20/h2-4,11H,5-10,12H2,1H3,(H2,17,18,19,22)
InChIKeyZUQUQTHEXJMUSS-UHFFFAOYSA-N
XLogP1.91
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156032
1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 71855066
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 71934228
N-(1-methyl-1H-pyrazol-5-yl)-2-{4-[5-(piperazin-1-ylmethyl)-3-thienyl]-1H-pyrazol-1-yl}acetamide
CID 31053670
N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 75372500
1-[[1-(2-Methoxyethyl)pyrazol-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 100723337
2-[[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75401418
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 45821250
1-(2-Cyclopentylpyrazol-3-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 72110432
3-(1-Methylpyrazol-3-yl)-5-thiophen-3-yl-1,4-dihydropyrimidin-2-one
CID 89573470
3-(1-Methylpyrazol-3-yl)-5-thiophen-3-yl-1,6-dihydropyrimidin-2-one
CID 89573472
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8834685

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (CID 56793042) is 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is Cc1ccsc1CNC(=O)Nc1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The InChIKey is ZUQUQTHEXJMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13-3-11-24-14(13)12-17-16(22)18-15-2-4-21(19-15)6-5-20-7-9-23-10-8-20/h2-4,11H,5-10,12H2,1H3,(H2,17,18,19,22).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea has a molecular weight of 349.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 56793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).