1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C19H30N4O2 — CID 51104770

IUPAC1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)o1
InChIInChI=1S/C19H30N4O2/c1-13(2)18-16(12-20-15(4)17-7-6-14(3)25-17)19(22(5)21-18)23-8-10-24-11-9-23/h6-7,13,15,20H,8-12H2,1-5H3
InChIKeyDLJHYHLWPLSYMN-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.13
Rot. Bonds6

About 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 51104770) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID51104770
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)o1
InChIInChI=1S/C19H30N4O2/c1-13(2)18-16(12-20-15(4)17-7-6-14(3)25-17)19(22(5)21-18)23-8-10-24-11-9-23/h6-7,13,15,20H,8-12H2,1-5H3
InChIKeyDLJHYHLWPLSYMN-UHFFFAOYSA-N
XLogP3.13
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(methylethyl)carboxamide
CID 3148191
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
5-(Furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884258
1-{[5-(2-furyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhyd roin-2-yl]carbonyl}piperidine-4-carboxamide
CID 3148222
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(2-methylpropyl)carboxamide
CID 3148194
[5-(Furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 3148199
5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148201
5-(furan-2-yl)-N-(2-methylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148241
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148257
N-(2-ethylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148259
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790300

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 51104770) is 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2c(C(C)C)nn(C)c2N2CCOCC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is DLJHYHLWPLSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)18-16(12-20-15(4)17-7-6-14(3)25-17)19(22(5)21-18)23-8-10-24-11-9-23/h6-7,13,15,20H,8-12H2,1-5H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 346.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 51104770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).