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

C18H21N3O — CID 30983712

IUPACN-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCCCCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H21N3O/c1-2-3-10-22-17-7-4-14(5-8-17)12-19-16-6-9-18-15(11-16)13-20-21-18/h4-9,11,13,19H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyHUAITDRSOQNORV-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.35
Rot. Bonds7

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

N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine (PubChem CID 30983712) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
PubChem CID30983712
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCCCCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H21N3O/c1-2-3-10-22-17-7-4-14(5-8-17)12-19-16-6-9-18-15(11-16)13-20-21-18/h4-9,11,13,19H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyHUAITDRSOQNORV-UHFFFAOYSA-N
XLogP4.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
N-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-1H-indazol-5-amine
CID 75389930
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690855
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
3,4-dichloro-N-[(4-hexoxyphenyl)methyl]aniline
CID 54796910
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine (CID 30983712) is N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine is CCCCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is HUAITDRSOQNORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-3-10-22-17-7-4-14(5-8-17)12-19-16-6-9-18-15(11-16)13-20-21-18/h4-9,11,13,19H,2-3,10,12H2,1H3,(H,20,21).
What are the key properties of N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine?
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 30983712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).