N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

C15H20FN3 — CID 62729973

IUPACN-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C15H20FN3/c1-3-8-17-12(2)14-9-18-19(11-14)10-13-6-4-5-7-15(13)16/h4-7,9,11-12,17H,3,8,10H2,1-2H3
InChIKeyGWDPRSCVIORUOX-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.13
Rot. Bonds6

About N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62729973) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62729973
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C15H20FN3/c1-3-8-17-12(2)14-9-18-19(11-14)10-13-6-4-5-7-15(13)16/h4-7,9,11-12,17H,3,8,10H2,1-2H3
InChIKeyGWDPRSCVIORUOX-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731611
N-[1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 116790465
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 62731055
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731250
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
CID 91610958
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 62729973) is N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is GWDPRSCVIORUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-8-17-12(2)14-9-18-19(11-14)10-13-6-4-5-7-15(13)16/h4-7,9,11-12,17H,3,8,10H2,1-2H3.
What are the key properties of N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62729973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).