2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

C16H22ClN5O — CID 56779421

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C16H22ClN5O/c1-11-7-18-20(8-11)9-14-5-4-6-21(14)15(23)10-22-13(3)16(17)12(2)19-22/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyAMIHKMVAXXSLHZ-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 56779421) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID56779421
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C16H22ClN5O/c1-11-7-18-20(8-11)9-14-5-4-6-21(14)15(23)10-22-13(3)16(17)12(2)19-22/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyAMIHKMVAXXSLHZ-UHFFFAOYSA-N
XLogP2.35
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771902
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53621017
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 53623406
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778912
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56781749
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 19575660
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772844
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 19579656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (CID 56779421) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is Cc1cnn(CC2CCCN2C(=O)Cn2nc(C)c(Cl)c2C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is AMIHKMVAXXSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-11-7-18-20(8-11)9-14-5-4-6-21(14)15(23)10-22-13(3)16(17)12(2)19-22/h7-8,14H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 335.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56779421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).