N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine

C15H14ClN3 — CID 104854338

IUPACN-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
SMILESCc1cc(Cl)ccc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14ClN3/c1-10-6-13(16)3-2-11(10)8-17-14-4-5-15-12(7-14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyOPCIGSZCNFHSDZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.14
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine

N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 104854338) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
PubChem CID104854338
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
SMILESCc1cc(Cl)ccc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14ClN3/c1-10-6-13(16)3-2-11(10)8-17-14-4-5-15-12(7-14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyOPCIGSZCNFHSDZ-UHFFFAOYSA-N
XLogP4.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1H-indazol-5-amine
CID 75386369
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75389926
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine
CID 102832434
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
CID 62699427
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine (CID 104854338) is N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine is Cc1cc(Cl)ccc1CNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is OPCIGSZCNFHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-6-13(16)3-2-11(10)8-17-14-4-5-15-12(7-14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine?
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 104854338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).