1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine

C12H15FN4 — CID 121213634

IUPAC1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C12H15FN4/c1-14-7-11-9-17(6-4-13)16-12(11)10-3-2-5-15-8-10/h2-3,5,8-9,14H,4,6-7H2,1H3
InChIKeyJQSZHKSOVUTIPG-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine

1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 121213634) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine
PubChem CID121213634
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCF)nc1-c1cccnc1
InChIInChI=1S/C12H15FN4/c1-14-7-11-9-17(6-4-13)16-12(11)10-3-2-5-15-8-10/h2-3,5,8-9,14H,4,6-7H2,1H3
InChIKeyJQSZHKSOVUTIPG-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633
[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 121213336
2-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]ethanol
CID 121213868
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-4-carbonitrile
CID 121213440
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
4-(chloromethyl)-1-(2-fluoroethyl)-3-phenylpyrazole
CID 121213375
2-[1-(2-fluoroethyl)-3-phenylpyrazol-4-yl]acetonitrile
CID 121213709
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine (CID 121213634) is 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(CCF)nc1-c1cccnc1.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JQSZHKSOVUTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-14-7-11-9-17(6-4-13)16-12(11)10-3-2-5-15-8-10/h2-3,5,8-9,14H,4,6-7H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 121213634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).