3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

C19H25FN4O2 — CID 126453434

IUPAC3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O2/c1-23(10-2-4-18-5-3-11-26-18)19(25)21-12-15-13-22-24(14-15)17-8-6-16(20)7-9-17/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyQQBPLXFDUBACFK-GOSISDBHSA-N
MW360.43 g/mol
LogP3.11
Rot. Bonds7

About 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 126453434) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID126453434
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O2/c1-23(10-2-4-18-5-3-11-26-18)19(25)21-12-15-13-22-24(14-15)17-8-6-16(20)7-9-17/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyQQBPLXFDUBACFK-GOSISDBHSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974
(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 126440633
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125438875
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (CID 126453434) is 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is CN(CCC[C@@H]1CCCO1)C(=O)NCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is QQBPLXFDUBACFK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-23(10-2-4-18-5-3-11-26-18)19(25)21-12-15-13-22-24(14-15)17-8-6-16(20)7-9-17/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,21,25)/t18-/m1/s1.
What are the key properties of 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 126453434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).