4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide

C14H19ClN6O2 — CID 19412394

IUPAC4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCc1nn(CC(C)C(=O)Nc2cnn(C)c2C(N)=O)c(C)c1Cl
InChIInChI=1S/C14H19ClN6O2/c1-7(6-21-9(3)11(15)8(2)19-21)14(23)18-10-5-17-20(4)12(10)13(16)22/h5,7H,6H2,1-4H3,(H2,16,22)(H,18,23)
InChIKeyGKSQIQIDXYUBCX-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.26
Rot. Bonds5

About 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide

4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412394) has the molecular formula C14H19ClN6O2 and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412394
Molecular FormulaC14H19ClN6O2
Molecular Weight338.80 g/mol
Exact Mass338.13
IUPAC Name4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCc1nn(CC(C)C(=O)Nc2cnn(C)c2C(N)=O)c(C)c1Cl
InChIInChI=1S/C14H19ClN6O2/c1-7(6-21-9(3)11(15)8(2)19-21)14(23)18-10-5-17-20(4)12(10)13(16)22/h5,7H,6H2,1-4H3,(H2,16,22)(H,18,23)
InChIKeyGKSQIQIDXYUBCX-UHFFFAOYSA-N
XLogP1.26
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 35526261
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)-2-methylpropanamide
CID 19568568
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)-2-methylpropanamide
CID 19584563
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294406
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19570564
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)-2-methylpropanamide
CID 19562300
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
CID 19568482
3-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19568677

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide (CID 19412394) is 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide is Cc1nn(CC(C)C(=O)Nc2cnn(C)c2C(N)=O)c(C)c1Cl.
What is the InChIKey of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is GKSQIQIDXYUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2/c1-7(6-21-9(3)11(15)8(2)19-21)14(23)18-10-5-17-20(4)12(10)13(16)22/h5,7H,6H2,1-4H3,(H2,16,22)(H,18,23).
What are the key properties of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).