1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C17H22FN5O2 — CID 51083539

IUPAC1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H22FN5O2/c18-14-3-1-13(2-4-14)16(23-7-9-25-10-8-23)12-20-17(24)19-11-15-5-6-21-22-15/h1-6,16H,7-12H2,(H,21,22)(H2,19,20,24)
InChIKeyMLUOBZZCSITFSM-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.42
Rot. Bonds6

About 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51083539) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51083539
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H22FN5O2/c18-14-3-1-13(2-4-14)16(23-7-9-25-10-8-23)12-20-17(24)19-11-15-5-6-21-22-15/h1-6,16H,7-12H2,(H,21,22)(H2,19,20,24)
InChIKeyMLUOBZZCSITFSM-UHFFFAOYSA-N
XLogP1.42
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
CID 68562357
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
N-[2-[3-(2,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155552451
N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155567758
1-benzyl-1-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696317
4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}morpholine
CID 1487678
1-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 45829799
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51083539) is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is MLUOBZZCSITFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-14-3-1-13(2-4-14)16(23-7-9-25-10-8-23)12-20-17(24)19-11-15-5-6-21-22-15/h1-6,16H,7-12H2,(H,21,22)(H2,19,20,24).
What are the key properties of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 347.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51083539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).