1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea

C14H17FN4O — CID 47467066

IUPAC1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea
SMILESCC(C)(C)n1cc(NC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4O/c1-14(2,3)19-9-12(8-16-19)18-13(20)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyLDOSRPIQYVEWDG-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.42
Rot. Bonds2

About 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea

1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea (PubChem CID 47467066) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea
PubChem CID47467066
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea
SMILESCC(C)(C)n1cc(NC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4O/c1-14(2,3)19-9-12(8-16-19)18-13(20)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H2,17,18,20)
InChIKeyLDOSRPIQYVEWDG-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-(tert-Butyl)-4-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxamide
CID 44588428
(E)-N-(2-amino-5-fluorophenyl)-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 60198483
Pyrazole, 4-(ethylamino)-1-phenyl-
CID 205181
Pyrazole, 4-(methylamino)-1-phenyl-
CID 209324
1-(4-fluorophenyl)-1H-pyrazol-4-amine
CID 43531715
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(2,4-difluorophenyl)-N'-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 2956297
1-[2-(3-Phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
CID 155539580

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea (CID 47467066) is 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea is CC(C)(C)n1cc(NC(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea?
The InChIKey is LDOSRPIQYVEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-14(2,3)19-9-12(8-16-19)18-13(20)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea?
1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea has a molecular weight of 276.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 47467066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).