1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea

C19H25FN4O2 — CID 97435948

IUPAC1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea
SMILESCCN(C[C@H]1CCCCO1)C(=O)Nc1ccnn1Cc1cccc(F)c1
InChIInChI=1S/C19H25FN4O2/c1-2-23(14-17-8-3-4-11-26-17)19(25)22-18-9-10-21-24(18)13-15-6-5-7-16(20)12-15/h5-7,9-10,12,17H,2-4,8,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyXMWDDENMDZCVLU-QGZVFWFLSA-N
MW360.43 g/mol
LogP3.49
Rot. Bonds6

About 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea

1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea (PubChem CID 97435948) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea
PubChem CID97435948
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea
SMILESCCN(C[C@H]1CCCCO1)C(=O)Nc1ccnn1Cc1cccc(F)c1
InChIInChI=1S/C19H25FN4O2/c1-2-23(14-17-8-3-4-11-26-17)19(25)22-18-9-10-21-24(18)13-15-6-5-7-16(20)12-15/h5-7,9-10,12,17H,2-4,8,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyXMWDDENMDZCVLU-QGZVFWFLSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea with MolForge

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Related Compounds

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CID 94348968
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94364637
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55776746
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 95258347
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea (CID 97435948) is 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea is CCN(C[C@H]1CCCCO1)C(=O)Nc1ccnn1Cc1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea?
The InChIKey is XMWDDENMDZCVLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-2-23(14-17-8-3-4-11-26-17)19(25)22-18-9-10-21-24(18)13-15-6-5-7-16(20)12-15/h5-7,9-10,12,17H,2-4,8,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea?
1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[[(2R)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 97435948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).