(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C16H26N4O — CID 95292643

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C
InChIInChI=1S/C16H26N4O/c1-4-20-15(11-12(2)17-20)16(21)19-10-6-8-14(19)13-7-5-9-18(13)3/h11,13-14H,4-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyZCVJDXNHKBSMGB-ZIAGYGMSSA-N
MW290.41 g/mol
LogP1.91
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95292643) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95292643
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C
InChIInChI=1S/C16H26N4O/c1-4-20-15(11-12(2)17-20)16(21)19-10-6-8-14(19)13-7-5-9-18(13)3/h11,13-14H,4-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyZCVJDXNHKBSMGB-ZIAGYGMSSA-N
XLogP1.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95292643) is (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZCVJDXNHKBSMGB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-15(11-12(2)17-20)16(21)19-10-6-8-14(19)13-7-5-9-18(13)3/h11,13-14H,4-10H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95292643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).