1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C18H24FN5O — CID 75515961

IUPAC1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCCc1nn(C)cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN5O/c1-3-17-13(10-23(2)22-17)11-24-9-8-16(12-24)21-18(25)20-15-6-4-14(19)5-7-15/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H2,20,21,25)
InChIKeySCDXGBSZRGMZQG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 75515961) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID75515961
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCCc1nn(C)cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN5O/c1-3-17-13(10-23(2)22-17)11-24-9-8-16(12-24)21-18(25)20-15-6-4-14(19)5-7-15/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H2,20,21,25)
InChIKeySCDXGBSZRGMZQG-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 95296194
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 75471909
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 120751537
N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
CID 120899475
1-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 11156861
1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 75515961) is 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is CCc1nn(C)cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is SCDXGBSZRGMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-3-17-13(10-23(2)22-17)11-24-9-8-16(12-24)21-18(25)20-15-6-4-14(19)5-7-15/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 345.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 75515961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).