1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea

C17H19N5OS — CID 75505012

IUPAC1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CNC(=O)Nc1cccc(Cn2cccn2)c1)c1nccs1
InChIInChI=1S/C17H19N5OS/c1-13(16-18-7-9-24-16)11-19-17(23)21-15-5-2-4-14(10-15)12-22-8-3-6-20-22/h2-10,13H,11-12H2,1H3,(H2,19,21,23)
InChIKeyKHPPNQHYWFESAA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea

1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505012) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID75505012
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CNC(=O)Nc1cccc(Cn2cccn2)c1)c1nccs1
InChIInChI=1S/C17H19N5OS/c1-13(16-18-7-9-24-16)11-19-17(23)21-15-5-2-4-14(10-15)12-22-8-3-6-20-22/h2-10,13H,11-12H2,1H3,(H2,19,21,23)
InChIKeyKHPPNQHYWFESAA-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea (CID 75505012) is 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CNC(=O)Nc1cccc(Cn2cccn2)c1)c1nccs1.
What is the InChIKey of 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is KHPPNQHYWFESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13(16-18-7-9-24-16)11-19-17(23)21-15-5-2-4-14(10-15)12-22-8-3-6-20-22/h2-10,13H,11-12H2,1H3,(H2,19,21,23).
What are the key properties of 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 341.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).