N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C21H28FN5 — CID 25370442

IUPACN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cn(C)nc1-c1ccccc1F)C(C)C
InChIInChI=1S/C21H28FN5/c1-14(2)27(13-19-15(3)23-26(6)16(19)4)12-17-11-25(5)24-21(17)18-9-7-8-10-20(18)22/h7-11,14H,12-13H2,1-6H3
InChIKeyCFAWMFXZRXSTOX-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.99
Rot. Bonds6

About N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 25370442) has the molecular formula C21H28FN5 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID25370442
Molecular FormulaC21H28FN5
Molecular Weight369.49 g/mol
Exact Mass369.23
IUPAC NameN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cn(C)nc1-c1ccccc1F)C(C)C
InChIInChI=1S/C21H28FN5/c1-14(2)27(13-19-15(3)23-26(6)16(19)4)12-17-11-25(5)24-21(17)18-9-7-8-10-20(18)22/h7-11,14H,12-13H2,1-6H3
InChIKeyCFAWMFXZRXSTOX-UHFFFAOYSA-N
XLogP3.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 25370442) is N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1cn(C)nc1-c1ccccc1F)C(C)C.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is CFAWMFXZRXSTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5/c1-14(2)27(13-19-15(3)23-26(6)16(19)4)12-17-11-25(5)24-21(17)18-9-7-8-10-20(18)22/h7-11,14H,12-13H2,1-6H3.
What are the key properties of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 25370442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).