1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C19H23FN4O — CID 166256283

IUPAC1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(NCc1cnn(CCF)c1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H23FN4O/c20-7-8-24-12-13(11-22-24)10-21-19(25)23-18-16-5-1-3-14(16)9-15-4-2-6-17(15)18/h9,11-12H,1-8,10H2,(H2,21,23,25)
InChIKeyWMMQJYYADPBYIZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.15
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 166256283) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID166256283
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(NCc1cnn(CCF)c1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H23FN4O/c20-7-8-24-12-13(11-22-24)10-21-19(25)23-18-16-5-1-3-14(16)9-15-4-2-6-17(15)18/h9,11-12H,1-8,10H2,(H2,21,23,25)
InChIKeyWMMQJYYADPBYIZ-UHFFFAOYSA-N
XLogP3.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 47375852
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CID 162654807
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)urea
CID 138019643
methane;methyl 2-amino-3-(1-methylpyrazol-4-yl)propanoate;methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 157456061
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828561
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
1-(1-ethyl-4-fluoropyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166572760
1-(1-acetylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142478790
2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
CID 175033378

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 166256283) is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is O=C(NCc1cnn(CCF)c1)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is WMMQJYYADPBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-7-8-24-12-13(11-22-24)10-21-19(25)23-18-16-5-1-3-14(16)9-15-4-2-6-17(15)18/h9,11-12H,1-8,10H2,(H2,21,23,25).
What are the key properties of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 342.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 166256283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).