(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H26N4O2 — CID 97123174

IUPAC(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C17H26N4O2/c1-4-21-12(3)15(11(2)19-21)7-8-18-17(23)13-9-16(22)20(10-13)14-5-6-14/h13-14H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyMFVZJBVMACGPMD-CYBMUJFWSA-N
MW318.42 g/mol
LogP1.19
Rot. Bonds6

About (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97123174) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97123174
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C17H26N4O2/c1-4-21-12(3)15(11(2)19-21)7-8-18-17(23)13-9-16(22)20(10-13)14-5-6-14/h13-14H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyMFVZJBVMACGPMD-CYBMUJFWSA-N
XLogP1.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70716589
(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97119210
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 45194061
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 96517507
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
(3S)-3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97200908
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886109

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97123174) is (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1C.
What is the InChIKey of (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MFVZJBVMACGPMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-21-12(3)15(11(2)19-21)7-8-18-17(23)13-9-16(22)20(10-13)14-5-6-14/h13-14H,4-10H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97123174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).