N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H23N3O — CID 79484926

IUPACN-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C)cc1-c1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11-6-7-14(20-5)13(8-11)15-12(10-18-19-15)9-17-16(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyDGCHVQKXJKLVRF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds4

About N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79484926) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79484926
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C)cc1-c1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11-6-7-14(20-5)13(8-11)15-12(10-18-19-15)9-17-16(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyDGCHVQKXJKLVRF-UHFFFAOYSA-N
XLogP3.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79484926) is N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is COc1ccc(C)cc1-c1[nH]ncc1CNC(C)(C)C.
What is the InChIKey of N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DGCHVQKXJKLVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-6-7-14(20-5)13(8-11)15-12(10-18-19-15)9-17-16(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,18,19).
What are the key properties of N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79484926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).