2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

C16H22FN3 — CID 79224940

IUPAC2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3/c1-11(9-18-4)16-12(2)19-20(13(16)3)10-14-5-7-15(17)8-6-14/h5-8,11,18H,9-10H2,1-4H3
InChIKeyWJDWZQANSYKZJE-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.01
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 79224940) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID79224940
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3/c1-11(9-18-4)16-12(2)19-20(13(16)3)10-14-5-7-15(17)8-6-14/h5-8,11,18H,9-10H2,1-4H3
InChIKeyWJDWZQANSYKZJE-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62732271
2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 79225227
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63275185
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225020
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 107887222
1-[1-[(4-tert-butylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62728577
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
4-(1-chloropropyl)-3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 63514750
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
2,4,5-trichloro-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22202034
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 51309815

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (CID 79224940) is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is WJDWZQANSYKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11(9-18-4)16-12(2)19-20(13(16)3)10-14-5-7-15(17)8-6-14/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79224940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).