N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine

C15H20FN3 — CID 107456506

IUPACN-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCc1cnn(Cc2cc(CNC(C)C)ccc2F)c1
InChIInChI=1S/C15H20FN3/c1-11(2)17-8-13-4-5-15(16)14(6-13)10-19-9-12(3)7-18-19/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyLSXVCHAFWVQXMW-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.88
Rot. Bonds5

About N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 107456506) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID107456506
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCc1cnn(Cc2cc(CNC(C)C)ccc2F)c1
InChIInChI=1S/C15H20FN3/c1-11(2)17-8-13-4-5-15(16)14(6-13)10-19-9-12(3)7-18-19/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyLSXVCHAFWVQXMW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107456603
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
N-[[4-fluoro-3-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107456580
N-[[5-[(4-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557782
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine
CID 58333541
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
N-[[4-fluoro-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]propan-2-amine
CID 107454933
4-fluoro-3-[[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]benzonitrile
CID 95295576
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 107456506) is N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine is Cc1cnn(Cc2cc(CNC(C)C)ccc2F)c1.
What is the InChIKey of N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is LSXVCHAFWVQXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)17-8-13-4-5-15(16)14(6-13)10-19-9-12(3)7-18-19/h4-7,9,11,17H,8,10H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107456506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).