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

C15H20FN3 — CID 79578576

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1c(CNC(C)Cc2ccc(F)cc2)cnn1C
InChIInChI=1S/C15H20FN3/c1-11(8-13-4-6-15(16)7-5-13)17-9-14-10-18-19(3)12(14)2/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyRKYQRJHAVIHTQK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.59
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 79578576) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID79578576
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1c(CNC(C)Cc2ccc(F)cc2)cnn1C
InChIInChI=1S/C15H20FN3/c1-11(8-13-4-6-15(16)7-5-13)17-9-14-10-18-19(3)12(14)2/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyRKYQRJHAVIHTQK-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 79578972
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 79578576) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is Cc1c(CNC(C)Cc2ccc(F)cc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is RKYQRJHAVIHTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(8-13-4-6-15(16)7-5-13)17-9-14-10-18-19(3)12(14)2/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 79578576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).