1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine

C13H16FN3 — CID 115600103

IUPAC1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cn[nH]c1
InChIInChI=1S/C13H16FN3/c1-10(15-7-12-8-16-17-9-12)6-11-2-4-13(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3,(H,16,17)
InChIKeyDBDPYKYYXQJJIZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine

1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (PubChem CID 115600103) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
PubChem CID115600103
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cn[nH]c1
InChIInChI=1S/C13H16FN3/c1-10(15-7-12-8-16-17-9-12)6-11-2-4-13(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3,(H,16,17)
InChIKeyDBDPYKYYXQJJIZ-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 114829427
1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000493
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (CID 115600103) is 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1cn[nH]c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The InChIKey is DBDPYKYYXQJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(15-7-12-8-16-17-9-12)6-11-2-4-13(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 115600103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).