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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Related Compounds

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CID 54567
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

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).