1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea

C18H23FN4O2 — CID 129370928

IUPAC1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
SMILESCc1c([C@H](C)NC(=O)NC2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-12(21-18(24)22-15-7-9-25-10-8-15)17-11-20-23(13(17)2)16-5-3-14(19)4-6-16/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,24)/t12-/m0/s1
InChIKeyQDRWRWZAOSXEHI-LBPRGKRZSA-N
MW346.41 g/mol
LogP2.86
Rot. Bonds4

About 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea

1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea (PubChem CID 129370928) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
PubChem CID129370928
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
SMILESCc1c([C@H](C)NC(=O)NC2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-12(21-18(24)22-15-7-9-25-10-8-15)17-11-20-23(13(17)2)16-5-3-14(19)4-6-16/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,24)/t12-/m0/s1
InChIKeyQDRWRWZAOSXEHI-LBPRGKRZSA-N
XLogP2.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292381
3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119729016
(2S,5R)-5-(aminomethyl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxolane-2-carboxamide
CID 120787930
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580288
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]urea
CID 36509858
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
2,6-difluoro-N-[1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55591864
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
CID 45167612

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea (CID 129370928) is 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea is Cc1c([C@H](C)NC(=O)NC2CCOCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea?
The InChIKey is QDRWRWZAOSXEHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12(21-18(24)22-15-7-9-25-10-8-15)17-11-20-23(13(17)2)16-5-3-14(19)4-6-16/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22,24)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea?
1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea has a molecular weight of 346.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 129370928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).