N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H24N4O — CID 63071966

IUPACN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2c(CNC(C)(C)C)c(C)nn2C)cn1
InChIInChI=1S/C16H24N4O/c1-11-7-8-13(9-17-11)21-15-14(10-18-16(3,4)5)12(2)19-20(15)6/h7-9,18H,10H2,1-6H3
InChIKeyMVEFZFUKXRNKNM-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.11
Rot. Bonds4

About N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63071966) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID63071966
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2c(CNC(C)(C)C)c(C)nn2C)cn1
InChIInChI=1S/C16H24N4O/c1-11-7-8-13(9-17-11)21-15-14(10-18-16(3,4)5)12(2)19-20(15)6/h7-9,18H,10H2,1-6H3
InChIKeyMVEFZFUKXRNKNM-UHFFFAOYSA-N
XLogP3.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 63071966) is N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(Oc2c(CNC(C)(C)C)c(C)nn2C)cn1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MVEFZFUKXRNKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-7-8-13(9-17-11)21-15-14(10-18-16(3,4)5)12(2)19-20(15)6/h7-9,18H,10H2,1-6H3.
What are the key properties of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63071966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).