(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

C15H26N4O2 — CID 164636539

IUPAC(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(NC(=O)[C@H]2CCN(CCOC)C2)c1C
InChIInChI=1S/C15H26N4O2/c1-5-13-11(2)14(18(3)17-13)16-15(20)12-6-7-19(10-12)8-9-21-4/h12H,5-10H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyLSVHKBQTPTXJGE-LBPRGKRZSA-N
MW294.40 g/mol
LogP1.20
Rot. Bonds6

About (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 164636539) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID164636539
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCc1nn(C)c(NC(=O)[C@H]2CCN(CCOC)C2)c1C
InChIInChI=1S/C15H26N4O2/c1-5-13-11(2)14(18(3)17-13)16-15(20)12-6-7-19(10-12)8-9-21-4/h12H,5-10H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyLSVHKBQTPTXJGE-LBPRGKRZSA-N
XLogP1.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 164636539) is (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is CCc1nn(C)c(NC(=O)[C@H]2CCN(CCOC)C2)c1C.
What is the InChIKey of (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is LSVHKBQTPTXJGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-13-11(2)14(18(3)17-13)16-15(20)12-6-7-19(10-12)8-9-21-4/h12H,5-10H2,1-4H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164636539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).