1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

C18H26FN5O — CID 60562797

IUPAC1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(c1cccc(F)c1)N(C)C)Cn1cccn1
InChIInChI=1S/C18H26FN5O/c1-14(13-24-9-5-8-22-24)11-20-18(25)21-12-17(23(2)3)15-6-4-7-16(19)10-15/h4-10,14,17H,11-13H2,1-3H3,(H2,20,21,25)
InChIKeyHDZJHQZZUGHLNM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.26
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (PubChem CID 60562797) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
PubChem CID60562797
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(c1cccc(F)c1)N(C)C)Cn1cccn1
InChIInChI=1S/C18H26FN5O/c1-14(13-24-9-5-8-22-24)11-20-18(25)21-12-17(23(2)3)15-6-4-7-16(19)10-15/h4-10,14,17H,11-13H2,1-3H3,(H2,20,21,25)
InChIKeyHDZJHQZZUGHLNM-UHFFFAOYSA-N
XLogP2.26
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94068188
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083600
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
CID 30526386
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469
methyl 3-(dimethylamino)-4-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoylamino]benzoate
CID 102562954
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111396166
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (CID 60562797) is 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is CC(CNC(=O)NCC(c1cccc(F)c1)N(C)C)Cn1cccn1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The InChIKey is HDZJHQZZUGHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O/c1-14(13-24-9-5-8-22-24)11-20-18(25)21-12-17(23(2)3)15-6-4-7-16(19)10-15/h4-10,14,17H,11-13H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea has a molecular weight of 347.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 60562797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).