3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine

C19H30N4O2 — CID 46988600

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCN(CCN2CCOCC2)Cc2ccco2)n1
InChIInChI=1S/C19H30N4O2/c1-17-15-18(2)23(20-17)7-4-6-22(16-19-5-3-12-25-19)9-8-21-10-13-24-14-11-21/h3,5,12,15H,4,6-11,13-14,16H2,1-2H3
InChIKeyURHPKSHDCLJYIJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.32
Rot. Bonds9

About 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine (PubChem CID 46988600) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
PubChem CID46988600
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCN(CCN2CCOCC2)Cc2ccco2)n1
InChIInChI=1S/C19H30N4O2/c1-17-15-18(2)23(20-17)7-4-6-22(16-19-5-3-12-25-19)9-8-21-10-13-24-14-11-21/h3,5,12,15H,4,6-11,13-14,16H2,1-2H3
InChIKeyURHPKSHDCLJYIJ-UHFFFAOYSA-N
XLogP2.32
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine (CID 46988600) is 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine is Cc1cc(C)n(CCCN(CCN2CCOCC2)Cc2ccco2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The InChIKey is URHPKSHDCLJYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-17-15-18(2)23(20-17)7-4-6-22(16-19-5-3-12-25-19)9-8-21-10-13-24-14-11-21/h3,5,12,15H,4,6-11,13-14,16H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine has a molecular weight of 346.47 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 46988600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).