3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea

C21H24N4O2 — CID 131907822

IUPAC3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(18-7-11-20(27-3)12-8-18)23-21(26)24(2)15-17-5-9-19(10-6-17)25-14-4-13-22-25/h4-14,16H,15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyOJSBGZRVFPHGTC-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds6

About 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea

3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 131907822) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID131907822
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(18-7-11-20(27-3)12-8-18)23-21(26)24(2)15-17-5-9-19(10-6-17)25-14-4-13-22-25/h4-14,16H,15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyOJSBGZRVFPHGTC-MRXNPFEDSA-N
XLogP3.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(4-phenylphenyl)methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 78871257
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439129
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439130
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
1-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 86999519
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 131907822) is 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea is COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is OJSBGZRVFPHGTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(18-7-11-20(27-3)12-8-18)23-21(26)24(2)15-17-5-9-19(10-6-17)25-14-4-13-22-25/h4-14,16H,15H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 364.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 131907822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).