1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea

C22H24N4O — CID 131935332

IUPAC1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H24N4O/c1-3-25(14-16-13-23-26(4-2)15-16)22(27)24-19-9-10-21-18(12-19)11-17-7-5-6-8-20(17)21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,24,27)
InChIKeyWXQCQEWMURSFGP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.53
Rot. Bonds5

About 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea

1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea (PubChem CID 131935332) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
PubChem CID131935332
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H24N4O/c1-3-25(14-16-13-23-26(4-2)15-16)22(27)24-19-9-10-21-18(12-19)11-17-7-5-6-8-20(17)21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,24,27)
InChIKeyWXQCQEWMURSFGP-UHFFFAOYSA-N
XLogP4.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
2-(9H-fluoren-2-ylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 51108578
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360
(3R,4S)-N-(9H-fluoren-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120918242
(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
CID 95122747
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 121496517
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122568154

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea?
The IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea (CID 131935332) is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea?
The canonical SMILES for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea is CCN(Cc1cnn(CC)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea?
The InChIKey is WXQCQEWMURSFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-25(14-16-13-23-26(4-2)15-16)22(27)24-19-9-10-21-18(12-19)11-17-7-5-6-8-20(17)21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,24,27).
What are the key properties of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea?
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea has a molecular weight of 360.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea is sourced from PubChem (CID 131935332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).