2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide

C18H29N5O2 — CID 167789204

IUPAC2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)NC1CCN(C(=O)c2n[nH]c3c2CCCC3)C1(C)C
InChIInChI=1S/C18H29N5O2/c1-18(2)14(19-15(24)11-22(3)4)9-10-23(18)17(25)16-12-7-5-6-8-13(12)20-21-16/h14H,5-11H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyZRUSSFOSVMOADA-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.96
Rot. Bonds4

About 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide

2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 167789204) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID167789204
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)NC1CCN(C(=O)c2n[nH]c3c2CCCC3)C1(C)C
InChIInChI=1S/C18H29N5O2/c1-18(2)14(19-15(24)11-22(3)4)9-10-23(18)17(25)16-12-7-5-6-8-13(12)20-21-16/h14H,5-11H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyZRUSSFOSVMOADA-UHFFFAOYSA-N
XLogP0.96
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 167789204) is 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide is CN(C)CC(=O)NC1CCN(C(=O)c2n[nH]c3c2CCCC3)C1(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ZRUSSFOSVMOADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-18(2)14(19-15(24)11-22(3)4)9-10-23(18)17(25)16-12-7-5-6-8-13(12)20-21-16/h14H,5-11H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide?
2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 167789204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).