1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

C13H15FN4O2 — CID 94038782

IUPAC1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C13H15FN4O2/c1-8(9-3-4-12(20-2)11(14)5-9)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m0/s1
InChIKeyUWQAAFTWVQJKEW-QMMMGPOBSA-N
MW278.29 g/mol
LogP2.44
Rot. Bonds4

About 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 94038782) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID94038782
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C13H15FN4O2/c1-8(9-3-4-12(20-2)11(14)5-9)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m0/s1
InChIKeyUWQAAFTWVQJKEW-QMMMGPOBSA-N
XLogP2.44
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94120662
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate
CID 99783927
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302598
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302600

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (CID 94038782) is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is COc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)cc1F.
What is the InChIKey of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is UWQAAFTWVQJKEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8(9-3-4-12(20-2)11(14)5-9)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 278.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).