N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine

C15H14FN3 — CID 70841013

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(NCc3ccc(F)cc3)cc12
InChIInChI=1S/C15H14FN3/c1-10-14-8-13(6-7-15(14)19-18-10)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyYBTWEABKYYQGDG-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine

N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine (PubChem CID 70841013) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
PubChem CID70841013
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(NCc3ccc(F)cc3)cc12
InChIInChI=1S/C15H14FN3/c1-10-14-8-13(6-7-15(14)19-18-10)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyYBTWEABKYYQGDG-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
CID 22567266
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 50983440
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
CID 137101004
4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570938
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine (CID 70841013) is N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine is Cc1[nH]nc2ccc(NCc3ccc(F)cc3)cc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine?
The InChIKey is YBTWEABKYYQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-10-14-8-13(6-7-15(14)19-18-10)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine?
N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine has a molecular weight of 255.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 70841013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).