1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

C12H14FN3 — CID 62730113

IUPAC1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3/c1-14-6-11-7-15-16(9-11)8-10-3-2-4-12(13)5-10/h2-5,7,9,14H,6,8H2,1H3
InChIKeyJKULULPWJPQABJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.79
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 62730113) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID62730113
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3/c1-14-6-11-7-15-16(9-11)8-10-3-2-4-12(13)5-10/h2-5,7,9,14H,6,8H2,1H3
InChIKeyJKULULPWJPQABJ-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111394873
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
1-[(1-ethylpyrazol-4-yl)methyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19401572
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19401246
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 62730113) is 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JKULULPWJPQABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-14-6-11-7-15-16(9-11)8-10-3-2-4-12(13)5-10/h2-5,7,9,14H,6,8H2,1H3.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62730113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).