1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine

C19H21N3O2 — CID 157017395

IUPAC1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine
SMILESCOc1cc(Nc2nn(CC3CC3)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H21N3O2/c1-23-15-9-14(10-16(11-15)24-2)20-19-17-5-3-4-6-18(17)22(21-19)12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyZBNFOFXWFYFANR-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.21
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine

1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine (PubChem CID 157017395) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine
PubChem CID157017395
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine
SMILESCOc1cc(Nc2nn(CC3CC3)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H21N3O2/c1-23-15-9-14(10-16(11-15)24-2)20-19-17-5-3-4-6-18(17)22(21-19)12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyZBNFOFXWFYFANR-UHFFFAOYSA-N
XLogP4.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine (CID 157017395) is 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine is COc1cc(Nc2nn(CC3CC3)c3ccccc23)cc(OC)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine?
The InChIKey is ZBNFOFXWFYFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-15-9-14(10-16(11-15)24-2)20-19-17-5-3-4-6-18(17)22(21-19)12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine?
1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine has a molecular weight of 323.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)indazol-3-amine is sourced from PubChem (CID 157017395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).