N-(1H-indazol-4-ylmethyl)aniline

C14H13N3 — CID 91506728

IUPACN-(1H-indazol-4-ylmethyl)aniline
SMILESc1ccc(NCc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N3/c1-2-6-12(7-3-1)15-9-11-5-4-8-14-13(11)10-16-17-14/h1-8,10,15H,9H2,(H,16,17)
InChIKeyQQNNXLZPLBUTIX-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-(1H-indazol-4-ylmethyl)aniline

N-(1H-indazol-4-ylmethyl)aniline (PubChem CID 91506728) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-indazol-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1H-indazol-4-ylmethyl)aniline
PubChem CID91506728
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-(1H-indazol-4-ylmethyl)aniline
SMILESc1ccc(NCc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C14H13N3/c1-2-6-12(7-3-1)15-9-11-5-4-8-14-13(11)10-16-17-14/h1-8,10,15H,9H2,(H,16,17)
InChIKeyQQNNXLZPLBUTIX-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
CID 112606607
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442
2-[2-[(1H-indazol-4-ylamino)methyl]phenoxy]acetonitrile
CID 60931750
4-(piperazin-1-ylmethyl)-1H-indazole
CID 82509172
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
CID 60931249
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
CID 174665708
CID 174665708
4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
CID 137453812
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
N-(quinolin-4-ylmethyl)aniline
CID 57199115
1H-indazol-4-amine;dihydrochloride
CID 18779330

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-ylmethyl)aniline?
The IUPAC name of N-(1H-indazol-4-ylmethyl)aniline (CID 91506728) is N-(1H-indazol-4-ylmethyl)aniline.
What is the SMILES notation for N-(1H-indazol-4-ylmethyl)aniline?
The canonical SMILES for N-(1H-indazol-4-ylmethyl)aniline is c1ccc(NCc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-(1H-indazol-4-ylmethyl)aniline?
The InChIKey is QQNNXLZPLBUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-12(7-3-1)15-9-11-5-4-8-14-13(11)10-16-17-14/h1-8,10,15H,9H2,(H,16,17).
What are the key properties of N-(1H-indazol-4-ylmethyl)aniline?
N-(1H-indazol-4-ylmethyl)aniline has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-ylmethyl)aniline is sourced from PubChem (CID 91506728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).