N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline

C14H19N3O — CID 114274287

IUPACN-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
SMILESCCCOc1cnn(CCNc2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-2-10-18-14-11-16-17(12-14)9-8-15-13-6-4-3-5-7-13/h3-7,11-12,15H,2,8-10H2,1H3
InChIKeyAAJTXFHNXBCMIY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline

N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline (PubChem CID 114274287) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
PubChem CID114274287
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
SMILESCCCOc1cnn(CCNc2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-2-10-18-14-11-16-17(12-14)9-8-15-13-6-4-3-5-7-13/h3-7,11-12,15H,2,8-10H2,1H3
InChIKeyAAJTXFHNXBCMIY-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
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2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
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CID 80734248

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline (CID 114274287) is N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline is CCCOc1cnn(CCNc2ccccc2)c1.
What is the InChIKey of N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline?
The InChIKey is AAJTXFHNXBCMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-10-18-14-11-16-17(12-14)9-8-15-13-6-4-3-5-7-13/h3-7,11-12,15H,2,8-10H2,1H3.
What are the key properties of N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline?
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 114274287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).