1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine

C15H19F2N3 — CID 115761813

IUPAC1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine
SMILESCCn1nccc1CNC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3/c1-3-20-12(7-8-19-20)10-18-11(2)9-13-14(16)5-4-6-15(13)17/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyMBYDXVISAOVCCA-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine

1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 115761813) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID115761813
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine
SMILESCCn1nccc1CNC(C)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3/c1-3-20-12(7-8-19-20)10-18-11(2)9-13-14(16)5-4-6-15(13)17/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyMBYDXVISAOVCCA-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[(2-ethylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 115761765
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine (CID 115761813) is 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine is CCn1nccc1CNC(C)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is MBYDXVISAOVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-20-12(7-8-19-20)10-18-11(2)9-13-14(16)5-4-6-15(13)17/h4-8,11,18H,3,9-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine?
1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115761813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).