1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine

C14H19N3O — CID 66013530

IUPAC1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(OCc2ccccc2)c1N
InChIInChI=1S/C14H19N3O/c1-10(2)13-12(15)14(17(3)16-13)18-9-11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChIKeyOTFBSTVLNDZFRF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.70
Rot. Bonds4

About 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine

1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine (PubChem CID 66013530) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
PubChem CID66013530
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(OCc2ccccc2)c1N
InChIInChI=1S/C14H19N3O/c1-10(2)13-12(15)14(17(3)16-13)18-9-11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChIKeyOTFBSTVLNDZFRF-UHFFFAOYSA-N
XLogP2.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine (CID 66013530) is 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C)c(OCc2ccccc2)c1N.
What is the InChIKey of 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine?
The InChIKey is OTFBSTVLNDZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)13-12(15)14(17(3)16-13)18-9-11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine?
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66013530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).