1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C17H20F2N4O — CID 99829618

IUPAC1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C17H20F2N4O/c1-22-12(8-10-21-22)7-9-20-17(24)23(13-5-6-13)11-14-15(18)3-2-4-16(14)19/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24)
InChIKeyRFXXPJJTIMXUHF-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.62
Rot. Bonds6

About 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 99829618) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID99829618
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C17H20F2N4O/c1-22-12(8-10-21-22)7-9-20-17(24)23(13-5-6-13)11-14-15(18)3-2-4-16(14)19/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24)
InChIKeyRFXXPJJTIMXUHF-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 99829618) is 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is Cn1nccc1CCNC(=O)N(Cc1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is RFXXPJJTIMXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-22-12(8-10-21-22)7-9-20-17(24)23(13-5-6-13)11-14-15(18)3-2-4-16(14)19/h2-4,8,10,13H,5-7,9,11H2,1H3,(H,20,24).
What are the key properties of 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 334.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2,6-difluorophenyl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 99829618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).