1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine

C16H23N3O — CID 62903365

IUPAC1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
SMILESCC(C)Oc1ccccc1CNc1cnn(C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)19-11-15(10-18-19)17-9-14-7-5-6-8-16(14)20-13(3)4/h5-8,10-13,17H,9H2,1-4H3
InChIKeyMIEFRCFVECVGEM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.86
Rot. Bonds6

About 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine

1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine (PubChem CID 62903365) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
PubChem CID62903365
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
SMILESCC(C)Oc1ccccc1CNc1cnn(C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)19-11-15(10-18-19)17-9-14-7-5-6-8-16(14)20-13(3)4/h5-8,10-13,17H,9H2,1-4H3
InChIKeyMIEFRCFVECVGEM-UHFFFAOYSA-N
XLogP3.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine (CID 62903365) is 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine is CC(C)Oc1ccccc1CNc1cnn(C(C)C)c1.
What is the InChIKey of 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is MIEFRCFVECVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19-11-15(10-18-19)17-9-14-7-5-6-8-16(14)20-13(3)4/h5-8,10-13,17H,9H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine?
1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).