1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

C13H15FN4O2 — CID 94120662

IUPAC1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H15FN4O2/c1-8(11-5-9(14)3-4-12(11)20-2)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m1/s1
InChIKeyGNSRQWKQUXOMLF-MRVPVSSYSA-N
MW278.29 g/mol
LogP2.44
Rot. Bonds4

About 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 94120662) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID94120662
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H15FN4O2/c1-8(11-5-9(14)3-4-12(11)20-2)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m1/s1
InChIKeyGNSRQWKQUXOMLF-MRVPVSSYSA-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-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 95769889
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 43701042

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (CID 94120662) is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is GNSRQWKQUXOMLF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8(11-5-9(14)3-4-12(11)20-2)17-13(19)18-10-6-15-16-7-10/h3-8H,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
1-[(1R)-1-(5-fluoro-2-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-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94120662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).