1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine

C12H14FN3 — CID 83410852

IUPAC1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14FN3/c1-16(2)8-9-3-4-11(13)10(7-9)12-5-6-14-15-12/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyITLDQRDIRHBKAX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine

1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine (PubChem CID 83410852) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine
PubChem CID83410852
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14FN3/c1-16(2)8-9-3-4-11(13)10(7-9)12-5-6-14-15-12/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyITLDQRDIRHBKAX-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine (CID 83410852) is 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(F)c(-c2ccn[nH]2)c1.
What is the InChIKey of 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is ITLDQRDIRHBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16(2)8-9-3-4-11(13)10(7-9)12-5-6-14-15-12/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine?
1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 83410852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).