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

C16H28N4O — CID 164643416

IUPAC(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CN1CC[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H28N4O/c1-6-14-13(15(7-2)19(5)17-14)11-20-9-8-12(10-20)16(21)18(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyGNFZDYFPYBQKJZ-LBPRGKRZSA-N
MW292.43 g/mol
LogP1.46
Rot. Bonds5

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

(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 164643416) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID164643416
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(CC)c1CN1CC[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H28N4O/c1-6-14-13(15(7-2)19(5)17-14)11-20-9-8-12(10-20)16(21)18(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyGNFZDYFPYBQKJZ-LBPRGKRZSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N,N-dimethylpropanamide
CID 45807788
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-cyclopropyl-N-propan-2-ylpropanamide
CID 53512119
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N,N-dimethyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-4-azepanamine
CID 56906568
[5-Methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 8077168
1-(4-Methyl-1,4-diazepan-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 40096226
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N,N-dimethylpropanamide;hydrochloride
CID 45807787
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
1-(4-Acetyl-1,4-diazepan-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53508808
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011
rel-(3R,4S)-4-cyclopropyl-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-3-pyrrolidinamine hydrochloride
CID 72861224

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide (CID 164643416) is (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide is CCc1nn(C)c(CC)c1CN1CC[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GNFZDYFPYBQKJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-14-13(15(7-2)19(5)17-14)11-20-9-8-12(10-20)16(21)18(3)4/h12H,6-11H2,1-5H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
(3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164643416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).