(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine

C19H27N3O — CID 75389953

IUPAC(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1c(CN[C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C
InChIInChI=1S/C19H27N3O/c1-13(2)23-17-9-8-15-6-5-7-19(18(15)10-17)20-11-16-12-21-22(4)14(16)3/h8-10,12-13,19-20H,5-7,11H2,1-4H3/t19-/m1/s1
InChIKeyGPAWHYWNWJMJTE-LJQANCHMSA-N
MW313.45 g/mol
LogP3.68
Rot. Bonds5

About (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 75389953) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID75389953
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1c(CN[C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C
InChIInChI=1S/C19H27N3O/c1-13(2)23-17-9-8-15-6-5-7-19(18(15)10-17)20-11-16-12-21-22(4)14(16)3/h8-10,12-13,19-20H,5-7,11H2,1-4H3/t19-/m1/s1
InChIKeyGPAWHYWNWJMJTE-LJQANCHMSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 75389953) is (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1c(CN[C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C.
What is the InChIKey of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GPAWHYWNWJMJTE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)23-17-9-8-15-6-5-7-19(18(15)10-17)20-11-16-12-21-22(4)14(16)3/h8-10,12-13,19-20H,5-7,11H2,1-4H3/t19-/m1/s1.
What are the key properties of (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 75389953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).