1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

C14H17F2N3 — CID 103674451

IUPAC1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H17F2N3/c1-2-5-19-10-11(8-18-19)7-17-9-12-6-13(15)3-4-14(12)16/h3-4,6,8,10,17H,2,5,7,9H2,1H3
InChIKeyUVMQOJPSIJHOSW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (PubChem CID 103674451) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
PubChem CID103674451
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H17F2N3/c1-2-5-19-10-11(8-18-19)7-17-9-12-6-13(15)3-4-14(12)16/h3-4,6,8,10,17H,2,5,7,9H2,1H3
InChIKeyUVMQOJPSIJHOSW-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
N-[(1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanamine
CID 71855436
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (CID 103674451) is 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is CCCn1cc(CNCc2cc(F)ccc2F)cn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The InChIKey is UVMQOJPSIJHOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-2-5-19-10-11(8-18-19)7-17-9-12-6-13(15)3-4-14(12)16/h3-4,6,8,10,17H,2,5,7,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine has a molecular weight of 265.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103674451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).