N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine

C14H12ClN3 — CID 54865712

IUPACN-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
SMILESClc1cccc(CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C14H12ClN3/c15-11-4-1-3-10(7-11)8-16-13-5-2-6-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18)
InChIKeyFNTHDPGNLQRPHI-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.83
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine

N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine (PubChem CID 54865712) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
PubChem CID54865712
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
SMILESClc1cccc(CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C14H12ClN3/c15-11-4-1-3-10(7-11)8-16-13-5-2-6-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18)
InChIKeyFNTHDPGNLQRPHI-UHFFFAOYSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
CID 112606607
N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 62084497
N-[(5-nitrothiophen-3-yl)methyl]-1H-indazol-4-amine
CID 54865659
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine
CID 60932500
N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 54865678
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine (CID 54865712) is N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine is Clc1cccc(CNc2cccc3[nH]ncc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine?
The InChIKey is FNTHDPGNLQRPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-11-4-1-3-10(7-11)8-16-13-5-2-6-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine?
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine has a molecular weight of 257.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 54865712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).