2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine

C16H20ClN3 — CID 79855987

IUPAC2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine
SMILESCC1(C)CCCc2nn(Cc3cccc(Cl)c3)c(N)c21
InChIInChI=1S/C16H20ClN3/c1-16(2)8-4-7-13-14(16)15(18)20(19-13)10-11-5-3-6-12(17)9-11/h3,5-6,9H,4,7-8,10,18H2,1-2H3
InChIKeyWLCZYDNZIVMJCP-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.78
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine

2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine (PubChem CID 79855987) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine
PubChem CID79855987
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine
SMILESCC1(C)CCCc2nn(Cc3cccc(Cl)c3)c(N)c21
InChIInChI=1S/C16H20ClN3/c1-16(2)8-4-7-13-14(16)15(18)20(19-13)10-11-5-3-6-12(17)9-11/h3,5-6,9H,4,7-8,10,18H2,1-2H3
InChIKeyWLCZYDNZIVMJCP-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid
CID 79855142
5-amino-1-[(3-chlorophenyl)methyl]-3-methylsulfanylpyrazole-4-carbonitrile
CID 55172412
5-amino-1-[(3-chlorophenyl)methyl]-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796523
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 116788203
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 625687
1-[(3-chlorophenyl)methyl]-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826264
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine (CID 79855987) is 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine is CC1(C)CCCc2nn(Cc3cccc(Cl)c3)c(N)c21.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine?
The InChIKey is WLCZYDNZIVMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-16(2)8-4-7-13-14(16)15(18)20(19-13)10-11-5-3-6-12(17)9-11/h3,5-6,9H,4,7-8,10,18H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine?
2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine is sourced from PubChem (CID 79855987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).