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

C17H25N3O — CID 114555712

IUPAC3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cccc(OC(C)CC)c1
InChIInChI=1S/C17H25N3O/c1-4-11-20-16(9-10-19-20)13-18-15-7-6-8-17(12-15)21-14(3)5-2/h6-10,12,14,18H,4-5,11,13H2,1-3H3
InChIKeyCPUPFMDEEZEAMV-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.08
Rot. Bonds8

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

3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555712) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555712
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1cccc(OC(C)CC)c1
InChIInChI=1S/C17H25N3O/c1-4-11-20-16(9-10-19-20)13-18-15-7-6-8-17(12-15)21-14(3)5-2/h6-10,12,14,18H,4-5,11,13H2,1-3H3
InChIKeyCPUPFMDEEZEAMV-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555712) is 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1cccc(OC(C)CC)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is CPUPFMDEEZEAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-11-20-16(9-10-19-20)13-18-15-7-6-8-17(12-15)21-14(3)5-2/h6-10,12,14,18H,4-5,11,13H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline?
3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).