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

C16H21N5 — CID 22493387

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
SMILESCC(C)n1nccc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
InChIKeyAPTMFOIALVJASZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.54
Rot. Bonds5

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline (PubChem CID 22493387) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
PubChem CID22493387
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
SMILESCC(C)n1nccc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
InChIKeyAPTMFOIALVJASZ-UHFFFAOYSA-N
XLogP2.54
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.54
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-(2-propan-2-ylpyrazol-3-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline (CID 22493387) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline is CC(C)n1nccc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline?
The InChIKey is APTMFOIALVJASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline has a molecular weight of 283.38 g/mol, XLogP of 2.54, 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-(2-propan-2-ylpyrazol-3-yl)aniline is sourced from PubChem (CID 22493387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).