4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide

C18H23ClN8O2 — CID 19570564

IUPAC4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)Cn2cc(Cl)cn2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C18H23ClN8O2/c1-5-27-16(18(29)23-14-7-20-25(4)12(14)3)15(8-22-27)24-17(28)11(2)9-26-10-13(19)6-21-26/h6-8,10-11H,5,9H2,1-4H3,(H,23,29)(H,24,28)
InChIKeyWXUIJYKRYSZVHF-UHFFFAOYSA-N
MW418.89 g/mol
LogP2.32
Rot. Bonds7

About 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide

4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 19570564) has the molecular formula C18H23ClN8O2 and a molecular weight of 418.89 g/mol. Its IUPAC name is 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID19570564
Molecular FormulaC18H23ClN8O2
Molecular Weight418.89 g/mol
Exact Mass418.16
IUPAC Name4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)Cn2cc(Cl)cn2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C18H23ClN8O2/c1-5-27-16(18(29)23-14-7-20-25(4)12(14)3)15(8-22-27)24-17(28)11(2)9-26-10-13(19)6-21-26/h6-8,10-11H,5,9H2,1-4H3,(H,23,29)(H,24,28)
InChIKeyWXUIJYKRYSZVHF-UHFFFAOYSA-N
XLogP2.32
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487755
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
4-chloro-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268106
4-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19517651
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339776
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339082
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513
4-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19529522
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (CID 19570564) is 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)C(C)Cn2cc(Cl)cn2)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is WXUIJYKRYSZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN8O2/c1-5-27-16(18(29)23-14-7-20-25(4)12(14)3)15(8-22-27)24-17(28)11(2)9-26-10-13(19)6-21-26/h6-8,10-11H,5,9H2,1-4H3,(H,23,29)(H,24,28).
What are the key properties of 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 418.89 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19570564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).