N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine

C15H13F2N3 — CID 115526186

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine
SMILESFC(F)c1cccc(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C15H13F2N3/c16-15(17)11-3-1-2-10(6-11)8-18-13-4-5-14-12(7-13)9-19-20-14/h1-7,9,15,18H,8H2,(H,19,20)
InChIKeyNNNZPCIVNVMSNF-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.11
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine

N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine (PubChem CID 115526186) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine
PubChem CID115526186
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine
SMILESFC(F)c1cccc(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C15H13F2N3/c16-15(17)11-3-1-2-10(6-11)8-18-13-4-5-14-12(7-13)9-19-20-14/h1-7,9,15,18H,8H2,(H,19,20)
InChIKeyNNNZPCIVNVMSNF-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
CID 115526695
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine (CID 115526186) is N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine is FC(F)c1cccc(CNc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine?
The InChIKey is NNNZPCIVNVMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-15(17)11-3-1-2-10(6-11)8-18-13-4-5-14-12(7-13)9-19-20-14/h1-7,9,15,18H,8H2,(H,19,20).
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine has a molecular weight of 273.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 115526186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).