1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea

C11H12FN5O — CID 79504585

IUPAC1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
SMILESNCc1cn[nH]c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
InChIKeyFRURUMBPGDWLHA-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.65
Rot. Bonds3

About 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea

1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea (PubChem CID 79504585) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
PubChem CID79504585
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
SMILESNCc1cn[nH]c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
InChIKeyFRURUMBPGDWLHA-UHFFFAOYSA-N
XLogP1.65
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
CID 79531349
1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-tert-butylurea
CID 79503933
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
1-(4-ethyl-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 104620572
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 79530725
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-methylphenyl)urea
CID 79529401
1-[4-(2-bromoacetyl)phenyl]-3-(4-fluorophenyl)urea
CID 145361635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea (CID 79504585) is 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea is NCc1cn[nH]c1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The InChIKey is FRURUMBPGDWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,5,13H2,(H3,14,15,16,17,18).
What are the key properties of 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea?
1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea has a molecular weight of 249.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 79504585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).