1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C16H17N5OS — CID 86842153

IUPAC1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2ccn(Cc3ccccc3)n2)s1
InChIInChI=1S/C16H17N5OS/c1-12-17-9-14(23-12)10-18-16(22)19-15-7-8-21(20-15)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,18,19,20,22)
InChIKeyAXLZZJROUGXQKL-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.02
Rot. Bonds5

About 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86842153) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86842153
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2ccn(Cc3ccccc3)n2)s1
InChIInChI=1S/C16H17N5OS/c1-12-17-9-14(23-12)10-18-16(22)19-15-7-8-21(20-15)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,18,19,20,22)
InChIKeyAXLZZJROUGXQKL-UHFFFAOYSA-N
XLogP3.02
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992409
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86842153) is 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)Nc2ccn(Cc3ccccc3)n2)s1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is AXLZZJROUGXQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-17-9-14(23-12)10-18-16(22)19-15-7-8-21(20-15)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,18,19,20,22).
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 327.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86842153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).