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

C11H12FN5O — CID 79531349

IUPAC1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
SMILESNc1[nH]ncc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)16-11(18)14-5-7-6-15-17-10(7)13/h1-4,6H,5H2,(H3,13,15,17)(H2,14,16,18)
InChIKeyRSGFCKRSFLVYFL-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.45
Rot. Bonds3

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

1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea (PubChem CID 79531349) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
PubChem CID79531349
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
SMILESNc1[nH]ncc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)16-11(18)14-5-7-6-15-17-10(7)13/h1-4,6H,5H2,(H3,13,15,17)(H2,14,16,18)
InChIKeyRSGFCKRSFLVYFL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-methylphenyl)urea
CID 79529401
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 79530725
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(3-cyanophenyl)urea
CID 79529561
1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)urea
CID 79504585
1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea
CID 103110682
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-amino-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79530288

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea (CID 79531349) is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea is Nc1[nH]ncc1CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea?
The InChIKey is RSGFCKRSFLVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-8-1-3-9(4-2-8)16-11(18)14-5-7-6-15-17-10(7)13/h1-4,6H,5H2,(H3,13,15,17)(H2,14,16,18).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea?
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea has a molecular weight of 249.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 79531349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).