1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide

C19H30N4O2 — CID 72930951

IUPAC1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)c(C)c1C
InChIInChI=1S/C19H30N4O2/c1-13-14(2)21-23(15(13)3)10-6-9-20-19(25)16-11-18(24)22(12-16)17-7-4-5-8-17/h16-17H,4-12H2,1-3H3,(H,20,25)
InChIKeyRXCUCOUWVBNQTI-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.11
Rot. Bonds6

About 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 72930951) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID72930951
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)c(C)c1C
InChIInChI=1S/C19H30N4O2/c1-13-14(2)21-23(15(13)3)10-6-9-20-19(25)16-11-18(24)22(12-16)17-7-4-5-8-17/h16-17H,4-12H2,1-3H3,(H,20,25)
InChIKeyRXCUCOUWVBNQTI-UHFFFAOYSA-N
XLogP2.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
(3R)-1-cyclopentyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97130759
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97123174

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide (CID 72930951) is 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide is Cc1nn(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)c(C)c1C.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is RXCUCOUWVBNQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-14(2)21-23(15(13)3)10-6-9-20-19(25)16-11-18(24)22(12-16)17-7-4-5-8-17/h16-17H,4-12H2,1-3H3,(H,20,25).
What are the key properties of 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 72930951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).