N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline

C16H17N3 — CID 70796376

IUPACN,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline
SMILESCc1[nH]nc2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C16H17N3/c1-11-15-9-6-13(10-16(15)18-17-11)12-4-7-14(8-5-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyNVFNXZKQVHUTJN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds2

About N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline

N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline (PubChem CID 70796376) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline
PubChem CID70796376
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline
SMILESCc1[nH]nc2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C16H17N3/c1-11-15-9-6-13(10-16(15)18-17-11)12-4-7-14(8-5-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyNVFNXZKQVHUTJN-UHFFFAOYSA-N
XLogP3.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline (CID 70796376) is N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline is Cc1[nH]nc2cc(-c3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline?
The InChIKey is NVFNXZKQVHUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-15-9-6-13(10-16(15)18-17-11)12-4-7-14(8-5-12)19(2)3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline?
N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methyl-2H-indazol-6-yl)aniline is sourced from PubChem (CID 70796376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).