N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline

C14H19N3O — CID 97337940

IUPACN-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
SMILESCCOC[C@@H](C)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-5-7-14(8-6-13)17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3/t12-/m1/s1
InChIKeyJBGRRYCDXFMPOL-GFCCVEGCSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds6

About N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline

N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline (PubChem CID 97337940) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
PubChem CID97337940
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
SMILESCCOC[C@@H](C)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-5-7-14(8-6-13)17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3/t12-/m1/s1
InChIKeyJBGRRYCDXFMPOL-GFCCVEGCSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
CID 113354869
N-(1-ethoxypropan-2-yl)-4-(triazol-1-yl)aniline
CID 86787554
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
N-(1-ethoxypropan-2-yl)-4-propylaniline
CID 115917220
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
N-(1-ethoxypropan-2-yl)pyridazin-3-amine
CID 62483257
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline (CID 97337940) is N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline is CCOC[C@@H](C)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline?
The InChIKey is JBGRRYCDXFMPOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-5-7-14(8-6-13)17-10-4-9-15-17/h4-10,12,16H,3,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline?
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 97337940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).