N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine

C12H14FN3 — CID 23005780

IUPACN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-2-14-7-10-8-15-16-12(10)9-4-3-5-11(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16)
InChIKeyCGNBORMFAMIIMF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.33
Rot. Bonds4

About N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 23005780) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID23005780
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-2-14-7-10-8-15-16-12(10)9-4-3-5-11(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16)
InChIKeyCGNBORMFAMIIMF-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 79485160
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 42519423
N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 6625394
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63108691
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 23005780) is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is CGNBORMFAMIIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-14-7-10-8-15-16-12(10)9-4-3-5-11(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16).
What are the key properties of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 23005780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).