1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea

C18H24FN5O — CID 118788168

IUPAC1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea
SMILESCc1c(NC(=O)NCC(c2ccc(F)cc2)N2CCCC2)cnn1C
InChIInChI=1S/C18H24FN5O/c1-13-16(11-21-23(13)2)22-18(25)20-12-17(24-9-3-4-10-24)14-5-7-15(19)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H2,20,22,25)
InChIKeyQHMWZNWMWFPFDA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.83
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea

1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 118788168) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea
PubChem CID118788168
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea
SMILESCc1c(NC(=O)NCC(c2ccc(F)cc2)N2CCCC2)cnn1C
InChIInChI=1S/C18H24FN5O/c1-13-16(11-21-23(13)2)22-18(25)20-12-17(24-9-3-4-10-24)14-5-7-15(19)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H2,20,22,25)
InChIKeyQHMWZNWMWFPFDA-UHFFFAOYSA-N
XLogP2.83
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea
CID 97434519
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenyl)urea
CID 43956378
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125177894
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea (CID 118788168) is 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea is Cc1c(NC(=O)NCC(c2ccc(F)cc2)N2CCCC2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is QHMWZNWMWFPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13-16(11-21-23(13)2)22-18(25)20-12-17(24-9-3-4-10-24)14-5-7-15(19)8-6-14/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea?
1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 118788168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).