[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C19H28N4O2 — CID 139006638

IUPAC[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(Cc3cnn(C)c3)C2)o1
InChIInChI=1S/C19H28N4O2/c1-4-22(5-2)14-17-6-7-18(25-17)19(24)23-9-8-15(13-23)10-16-11-20-21(3)12-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3
InChIKeyMYYFNKCBHJBZSN-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.56
Rot. Bonds7

About [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 139006638) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID139006638
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(Cc3cnn(C)c3)C2)o1
InChIInChI=1S/C19H28N4O2/c1-4-22(5-2)14-17-6-7-18(25-17)19(24)23-9-8-15(13-23)10-16-11-20-21(3)12-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3
InChIKeyMYYFNKCBHJBZSN-UHFFFAOYSA-N
XLogP2.56
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(diethylaminomethyl)furan-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680421
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71896158
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161
(2S)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 136580853
[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone
CID 166313269
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727088
3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866032
(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 97018836

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 139006638) is [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCC(Cc3cnn(C)c3)C2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is MYYFNKCBHJBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-22(5-2)14-17-6-7-18(25-17)19(24)23-9-8-15(13-23)10-16-11-20-21(3)12-16/h6-7,11-12,15H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 139006638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).