N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline

C14H15N5 — CID 75434842

IUPACN-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2ccccc2NCc2ncc[nH]2)n1
InChIInChI=1S/C14H15N5/c1-11-6-9-19(18-11)13-5-3-2-4-12(13)17-10-14-15-7-8-16-14/h2-9,17H,10H2,1H3,(H,15,16)
InChIKeyWTAYFGGTVKFDTM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline

N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline (PubChem CID 75434842) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline
PubChem CID75434842
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2ccccc2NCc2ncc[nH]2)n1
InChIInChI=1S/C14H15N5/c1-11-6-9-19(18-11)13-5-3-2-4-12(13)17-10-14-15-7-8-16-14/h2-9,17H,10H2,1H3,(H,15,16)
InChIKeyWTAYFGGTVKFDTM-UHFFFAOYSA-N
XLogP2.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline (CID 75434842) is N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline is Cc1ccn(-c2ccccc2NCc2ncc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline?
The InChIKey is WTAYFGGTVKFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-6-9-19(18-11)13-5-3-2-4-12(13)17-10-14-15-7-8-16-14/h2-9,17H,10H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline?
N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline has a molecular weight of 253.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(3-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 75434842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).