(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide

C17H28N4O2 — CID 164641901

IUPAC(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N1CC[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-6-14-13(15(7-2)20(5)18-14)10-16(22)21-9-8-12(11-21)17(23)19(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyUWUKFCAPBQVQBU-LBPRGKRZSA-N
MW320.44 g/mol
LogP1.02
Rot. Bonds5

About (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide

(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 164641901) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID164641901
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N1CC[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-6-14-13(15(7-2)20(5)18-14)10-16(22)21-9-8-12(11-21)17(23)19(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyUWUKFCAPBQVQBU-LBPRGKRZSA-N
XLogP1.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide (CID 164641901) is (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide is CCc1nn(C)c(CC)c1CC(=O)N1CC[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UWUKFCAPBQVQBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-6-14-13(15(7-2)20(5)18-14)10-16(22)21-9-8-12(11-21)17(23)19(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide?
(3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-diethyl-1-methylpyrazol-4-yl)acetyl]-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164641901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).