2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide

C16H22N6O — CID 56780492

IUPAC2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cnn(CC2CCCN2C(C)C(=O)Nc2ncccn2)c1
InChIInChI=1S/C16H22N6O/c1-12-9-19-21(10-12)11-14-5-3-8-22(14)13(2)15(23)20-16-17-6-4-7-18-16/h4,6-7,9-10,13-14H,3,5,8,11H2,1-2H3,(H,17,18,20,23)
InChIKeyMZGJKYRLDHUEQK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 56780492) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID56780492
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cnn(CC2CCCN2C(C)C(=O)Nc2ncccn2)c1
InChIInChI=1S/C16H22N6O/c1-12-9-19-21(10-12)11-14-5-3-8-22(14)13(2)15(23)20-16-17-6-4-7-18-16/h4,6-7,9-10,13-14H,3,5,8,11H2,1-2H3,(H,17,18,20,23)
InChIKeyMZGJKYRLDHUEQK-UHFFFAOYSA-N
XLogP1.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95300748
(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95300746
(2R)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 98765633
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95603290
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95605637
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129461455
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 56780492) is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide is Cc1cnn(CC2CCCN2C(C)C(=O)Nc2ncccn2)c1.
What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is MZGJKYRLDHUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-19-21(10-12)11-14-5-3-8-22(14)13(2)15(23)20-16-17-6-4-7-18-16/h4,6-7,9-10,13-14H,3,5,8,11H2,1-2H3,(H,17,18,20,23).
What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide?
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 56780492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).