4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide

C16H18ClN7O — CID 123734956

IUPAC4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1
InChIInChI=1S/C16H18ClN7O/c1-5-10-6-12(23(3)22-10)11-7-19-13(8-18-11)20-16(25)15-14(17)9(2)21-24(15)4/h6-8H,5H2,1-4H3,(H,19,20,25)
InChIKeyGUIUTMFKLNBZET-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 123734956) has the molecular formula C16H18ClN7O and a molecular weight of 359.82 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID123734956
Molecular FormulaC16H18ClN7O
Molecular Weight359.82 g/mol
Exact Mass359.13
IUPAC Name4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1
InChIInChI=1S/C16H18ClN7O/c1-5-10-6-12(23(3)22-10)11-7-19-13(8-18-11)20-16(25)15-14(17)9(2)21-24(15)4/h6-8H,5H2,1-4H3,(H,19,20,25)
InChIKeyGUIUTMFKLNBZET-UHFFFAOYSA-N
XLogP2.39
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196180
US10040798, Example 25
CID 122196181
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 725806
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322
N-(5-Chloropyridin-2-yl)pyrazole-3-carboxamide
CID 16667292
US9586948, Example 2
CID 117872321
4-bromo-N-(5-chloropyridin-2-yl)-2-ethylpyrazole-3-carboxamide
CID 892191
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415037
4-chloro-1-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1012567
1-[2-(1-azocanylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]methanamine
CID 16189885
N-{[2-(azocan-1-ylcarbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl}-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16191978
1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
CID 71580019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 123734956) is 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide is CCc1cc(-c2cnc(NC(=O)c3c(Cl)c(C)nn3C)cn2)n(C)n1.
What is the InChIKey of 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is GUIUTMFKLNBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O/c1-5-10-6-12(23(3)22-10)11-7-19-13(8-18-11)20-16(25)15-14(17)9(2)21-24(15)4/h6-8H,5H2,1-4H3,(H,19,20,25).
What are the key properties of 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-ethyl-1-methylpyrazol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 123734956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).