1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea

C19H25FN4O2 — CID 125440780

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@@H]1CCCOC1
InChIInChI=1S/C19H25FN4O2/c1-24(19(25)21-9-8-14-3-2-10-26-13-14)12-16-11-22-23-18(16)15-4-6-17(20)7-5-15/h4-7,11,14H,2-3,8-10,12-13H2,1H3,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyFHSDXKINEXQLBO-AWEZNQCLSA-N
MW360.43 g/mol
LogP3.17
Rot. Bonds6

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea (PubChem CID 125440780) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea
PubChem CID125440780
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@@H]1CCCOC1
InChIInChI=1S/C19H25FN4O2/c1-24(19(25)21-9-8-14-3-2-10-26-13-14)12-16-11-22-23-18(16)15-4-6-17(20)7-5-15/h4-7,11,14H,2-3,8-10,12-13H2,1H3,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyFHSDXKINEXQLBO-AWEZNQCLSA-N
XLogP3.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[3-[ethyl(methyl)amino]butyl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
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N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
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N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245
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CID 46982592
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
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N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea (CID 125440780) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@@H]1CCCOC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea?
The InChIKey is FHSDXKINEXQLBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-24(19(25)21-9-8-14-3-2-10-26-13-14)12-16-11-22-23-18(16)15-4-6-17(20)7-5-15/h4-7,11,14H,2-3,8-10,12-13H2,1H3,(H,21,25)(H,22,23)/t14-/m0/s1.
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(3S)-oxan-3-yl]ethyl]urea is sourced from PubChem (CID 125440780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).