4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

C17H27N5O — CID 51104956

IUPAC4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCOc1cc(CNCc2c(C(C)C)nn(C)c2N(C)C)ccn1
InChIInChI=1S/C17H27N5O/c1-12(2)16-14(17(21(3)4)22(5)20-16)11-18-10-13-7-8-19-15(9-13)23-6/h7-9,12,18H,10-11H2,1-6H3
InChIKeyAQRPOCXNAZXRCP-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.30
Rot. Bonds7

About 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 51104956) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
PubChem CID51104956
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCOc1cc(CNCc2c(C(C)C)nn(C)c2N(C)C)ccn1
InChIInChI=1S/C17H27N5O/c1-12(2)16-14(17(21(3)4)22(5)20-16)11-18-10-13-7-8-19-15(9-13)23-6/h7-9,12,18H,10-11H2,1-6H3
InChIKeyAQRPOCXNAZXRCP-UHFFFAOYSA-N
XLogP2.30
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (CID 51104956) is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is COc1cc(CNCc2c(C(C)C)nn(C)c2N(C)C)ccn1.
What is the InChIKey of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is AQRPOCXNAZXRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)16-14(17(21(3)4)22(5)20-16)11-18-10-13-7-8-19-15(9-13)23-6/h7-9,12,18H,10-11H2,1-6H3.
What are the key properties of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 317.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 51104956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).