1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

C14H18FN3 — CID 66440761

IUPAC1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2cccc(F)c2)c1C(C)C
InChIInChI=1S/C14H18FN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-5-12(15)7-13/h4-7,9-10,16H,8H2,1-3H3
InChIKeyAMQOHKYLHJETJH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66440761) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66440761
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2cccc(F)c2)c1C(C)C
InChIInChI=1S/C14H18FN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-5-12(15)7-13/h4-7,9-10,16H,8H2,1-3H3
InChIKeyAMQOHKYLHJETJH-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442168
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66441573
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
CID 66437510
N-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441251
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 78987307
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (CID 66440761) is 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(-c2cccc(F)c2)c1C(C)C.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is AMQOHKYLHJETJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)14-11(8-16-3)9-17-18(14)13-6-4-5-12(15)7-13/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.85, 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)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66440761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).