N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine

C16H17N3 — CID 43690856

IUPACN-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
SMILESCCc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-7-8-16-14(9-15)11-18-19-16/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyMAHAUVLOSIQNNR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine

N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 43690856) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
PubChem CID43690856
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
SMILESCCc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-7-8-16-14(9-15)11-18-19-16/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyMAHAUVLOSIQNNR-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928
2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690855
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine (CID 43690856) is N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine is CCc1ccc(CNc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is MAHAUVLOSIQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-7-8-16-14(9-15)11-18-19-16/h3-9,11,17H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine?
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 43690856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).