N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline

C14H19N3 — CID 155063432

IUPACN-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline
SMILESCCNc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/C14H19N3/c1-4-15-13-5-7-14(8-6-13)17-10-12(9-16-17)11(2)3/h5-11,15H,4H2,1-3H3
InChIKeyBUASMNCSLKVFAZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline

N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline (PubChem CID 155063432) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline
PubChem CID155063432
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline
SMILESCCNc1ccc(-n2cc(C(C)C)cn2)cc1
InChIInChI=1S/C14H19N3/c1-4-15-13-5-7-14(8-6-13)17-10-12(9-16-17)11(2)3/h5-11,15H,4H2,1-3H3
InChIKeyBUASMNCSLKVFAZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline?
The IUPAC name of N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline (CID 155063432) is N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline.
What is the SMILES notation for N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline?
The canonical SMILES for N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline is CCNc1ccc(-n2cc(C(C)C)cn2)cc1.
What is the InChIKey of N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline?
The InChIKey is BUASMNCSLKVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-15-13-5-7-14(8-6-13)17-10-12(9-16-17)11(2)3/h5-11,15H,4H2,1-3H3.
What are the key properties of N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline?
N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propan-2-ylpyrazol-1-yl)aniline is sourced from PubChem (CID 155063432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).