N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C16H24N6O — CID 95609417

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C16H24N6O/c1-19(10-14-9-18-20(2)11-14)16(23)13-21-7-3-5-15(21)12-22-8-4-6-17-22/h4,6,8-9,11,15H,3,5,7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLOMDRSMJZBSFER-HNNXBMFYSA-N
MW316.41 g/mol
LogP0.74
Rot. Bonds6

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 95609417) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID95609417
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C16H24N6O/c1-19(10-14-9-18-20(2)11-14)16(23)13-21-7-3-5-15(21)12-22-8-4-6-17-22/h4,6,8-9,11,15H,3,5,7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLOMDRSMJZBSFER-HNNXBMFYSA-N
XLogP0.74
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56780518
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95287104
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95979309
N-methyl-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 94453500
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021
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CID 95338495
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 92613187
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95611603
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609763

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 95609417) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1Cn1cccn1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is LOMDRSMJZBSFER-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-19(10-14-9-18-20(2)11-14)16(23)13-21-7-3-5-15(21)12-22-8-4-6-17-22/h4,6,8-9,11,15H,3,5,7,10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95609417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).