1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine

C17H16FN3 — CID 60930766

IUPAC1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESFc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H16FN3/c18-16-8-6-14(7-9-16)10-19-17-11-20-21(13-17)12-15-4-2-1-3-5-15/h1-9,11,13,19H,10,12H2
InChIKeyRVYXFYUEFVMJQA-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine

1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 60930766) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID60930766
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESFc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H16FN3/c18-16-8-6-14(7-9-16)10-19-17-11-20-21(13-17)12-15-4-2-1-3-5-15/h1-9,11,13,19H,10,12H2
InChIKeyRVYXFYUEFVMJQA-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62999432
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine (CID 60930766) is 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine is Fc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is RVYXFYUEFVMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-16-8-6-14(7-9-16)10-19-17-11-20-21(13-17)12-15-4-2-1-3-5-15/h1-9,11,13,19H,10,12H2.
What are the key properties of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine?
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 60930766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).