N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline

C15H19N5 — CID 10221066

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
SMILESCCn1ccc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C15H19N5/c1-2-20-10-7-14(19-20)12-5-3-4-6-13(12)18-11-15-16-8-9-17-15/h3-7,10,18H,2,8-9,11H2,1H3,(H,16,17)
InChIKeyXQGXNWSIVZTZLW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.98
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline (PubChem CID 10221066) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
PubChem CID10221066
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
SMILESCCn1ccc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C15H19N5/c1-2-20-10-7-14(19-20)12-5-3-4-6-13(12)18-11-15-16-8-9-17-15/h3-7,10,18H,2,8-9,11H2,1H3,(H,16,17)
InChIKeyXQGXNWSIVZTZLW-UHFFFAOYSA-N
XLogP1.98
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline (CID 10221066) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline is CCn1ccc(-c2ccccc2NCC2=NCCN2)n1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline?
The InChIKey is XQGXNWSIVZTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-20-10-7-14(19-20)12-5-3-4-6-13(12)18-11-15-16-8-9-17-15/h3-7,10,18H,2,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline has a molecular weight of 269.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline is sourced from PubChem (CID 10221066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).