N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H30N4O2 — CID 94824014

IUPACN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)[C@@H](CNC(=O)CCc1c(C)nn(C)c1C)c1ccco1
InChIInChI=1S/C19H30N4O2/c1-6-23(7-2)17(18-9-8-12-25-18)13-20-19(24)11-10-16-14(3)21-22(5)15(16)4/h8-9,12,17H,6-7,10-11,13H2,1-5H3,(H,20,24)/t17-/m0/s1
InChIKeyPSHJTRBADZNJTM-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.76
Rot. Bonds9

About N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94824014) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94824014
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)[C@@H](CNC(=O)CCc1c(C)nn(C)c1C)c1ccco1
InChIInChI=1S/C19H30N4O2/c1-6-23(7-2)17(18-9-8-12-25-18)13-20-19(24)11-10-16-14(3)21-22(5)15(16)4/h8-9,12,17H,6-7,10-11,13H2,1-5H3,(H,20,24)/t17-/m0/s1
InChIKeyPSHJTRBADZNJTM-KRWDZBQOSA-N
XLogP2.76
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43044850
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796499
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
2-[(4-ethoxyphenyl)methyl]-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119232130
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94824014) is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCN(CC)[C@@H](CNC(=O)CCc1c(C)nn(C)c1C)c1ccco1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PSHJTRBADZNJTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-6-23(7-2)17(18-9-8-12-25-18)13-20-19(24)11-10-16-14(3)21-22(5)15(16)4/h8-9,12,17H,6-7,10-11,13H2,1-5H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94824014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).