(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide

C16H25FN4O2 — CID 120965530

IUPAC(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C16H25FN4O2/c1-9(2)7-21-11(4)13(10(3)19-21)6-15(22)20-8-12(17)5-14(20)16(18)23/h9,12,14H,5-8H2,1-4H3,(H2,18,23)/t12-,14+/m1/s1
InChIKeySCBXJLOXBAVOPA-OCCSQVGLSA-N
MW324.40 g/mol
LogP1.12
Rot. Bonds5

About (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965530) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965530
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC Name(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C16H25FN4O2/c1-9(2)7-21-11(4)13(10(3)19-21)6-15(22)20-8-12(17)5-14(20)16(18)23/h9,12,14H,5-8H2,1-4H3,(H2,18,23)/t12-,14+/m1/s1
InChIKeySCBXJLOXBAVOPA-OCCSQVGLSA-N
XLogP1.12
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
[1-Methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97462006
(3R*,5R*)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72896570
N-methyl-7-oxo-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 91908908
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
CID 48658242
1-(4-Propyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56822440
1-[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
CID 71899340
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 (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide (CID 120965530) is (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide is Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is SCBXJLOXBAVOPA-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-9(2)7-21-11(4)13(10(3)19-21)6-15(22)20-8-12(17)5-14(20)16(18)23/h9,12,14H,5-8H2,1-4H3,(H2,18,23)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).