N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline

C14H19N3O — CID 113354869

IUPACN-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
SMILESCCOCC(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-10,12,16H,3,11H2,1-2H3
InChIKeyROYUIDLMIKLUEV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline

N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline (PubChem CID 113354869) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
PubChem CID113354869
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
SMILESCCOCC(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-10,12,16H,3,11H2,1-2H3
InChIKeyROYUIDLMIKLUEV-UHFFFAOYSA-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-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
methyl 2-(3-pyrazol-1-ylanilino)propanoate
CID 66174331
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
N-[1-(3-bromophenyl)ethyl]-3-pyrazol-1-ylaniline
CID 43740009
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-(1-ethoxypropan-2-yl)-4-(triazol-1-yl)aniline
CID 86787554
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
CID 115918909

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline (CID 113354869) is N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline is CCOCC(C)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline?
The InChIKey is ROYUIDLMIKLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-11-12(2)16-13-6-4-7-14(10-13)17-9-5-8-15-17/h4-10,12,16H,3,11H2,1-2H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline?
N-(1-ethoxypropan-2-yl)-3-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-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 113354869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).