3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline

C14H17F2N3O — CID 114555165

IUPAC3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cccc(OC(F)F)c1
InChIInChI=1S/C14H17F2N3O/c1-2-8-19-12(6-7-18-19)10-17-11-4-3-5-13(9-11)20-14(15)16/h3-7,9,14,17H,2,8,10H2,1H3
InChIKeyVEZSYGFFDIDTGY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds7

About 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline

3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555165) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555165
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cccc(OC(F)F)c1
InChIInChI=1S/C14H17F2N3O/c1-2-8-19-12(6-7-18-19)10-17-11-4-3-5-13(9-11)20-14(15)16/h3-7,9,14,17H,2,8,10H2,1H3
InChIKeyVEZSYGFFDIDTGY-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555712
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555165) is 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is VEZSYGFFDIDTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-8-19-12(6-7-18-19)10-17-11-4-3-5-13(9-11)20-14(15)16/h3-7,9,14,17H,2,8,10H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline?
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 281.31 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).