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

C18H29N5O — CID 51104996

IUPAC4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCCOc1ncccc1CNCc1c(C(C)C)nn(C)c1N(C)C
InChIInChI=1S/C18H29N5O/c1-7-24-17-14(9-8-10-20-17)11-19-12-15-16(13(2)3)21-23(6)18(15)22(4)5/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyUPCVZWLSYSYTHF-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.69
Rot. Bonds8

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

4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 51104996) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
PubChem CID51104996
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCCOc1ncccc1CNCc1c(C(C)C)nn(C)c1N(C)C
InChIInChI=1S/C18H29N5O/c1-7-24-17-14(9-8-10-20-17)11-19-12-15-16(13(2)3)21-23(6)18(15)22(4)5/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyUPCVZWLSYSYTHF-UHFFFAOYSA-N
XLogP2.69
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (CID 51104996) is 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is CCOc1ncccc1CNCc1c(C(C)C)nn(C)c1N(C)C.
What is the InChIKey of 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is UPCVZWLSYSYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-7-24-17-14(9-8-10-20-17)11-19-12-15-16(13(2)3)21-23(6)18(15)22(4)5/h8-10,13,19H,7,11-12H2,1-6H3.
What are the key properties of 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 331.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 51104996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).