N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C16H21N5O — CID 134710705

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1nn(C)cc1NC(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C16H21N5O/c1-12-14(11-20(2)19-12)18-16(22)15(21-8-3-4-9-21)13-6-5-7-17-10-13/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22)
InChIKeyAEJGOGIZOPTGMT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.90
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 134710705) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID134710705
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1nn(C)cc1NC(=O)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C16H21N5O/c1-12-14(11-20(2)19-12)18-16(22)15(21-8-3-4-9-21)13-6-5-7-17-10-13/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22)
InChIKeyAEJGOGIZOPTGMT-UHFFFAOYSA-N
XLogP1.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 136861472
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 134710705) is N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is Cc1nn(C)cc1NC(=O)C(c1cccnc1)N1CCCC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is AEJGOGIZOPTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-14(11-20(2)19-12)18-16(22)15(21-8-3-4-9-21)13-6-5-7-17-10-13/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 299.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 134710705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).